37517
 OpenBabel05082101102D

 34 35  0  0  0  0  0  0  0  0999 V2000
    2.0280   -3.9920    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.4921   -3.9920    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.5202   -0.7132    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.7132    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8424    1.2514    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2601    0.5469    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601   -0.9920    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4411    2.2694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2601    0.5469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5691   -0.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9511   -0.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0289    3.0784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8479    1.3559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601   -1.9920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6222    3.9920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0234    2.9739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6261   -2.4920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8940   -2.4920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8940   -3.4920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6261   -3.4920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601   -3.9920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3249    1.1635    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6536    0.6758    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4123    3.1432    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8245    2.3342    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1886    4.2442    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3700    4.5584    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0558    3.7398    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9586    2.3573    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6400    2.9091    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0882    3.5905    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1630   -2.1820    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3571   -2.1820    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601   -4.6120    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  1  0  0  0  0
  2 20  1  0  0  0  0
  3 10  2  0  0  0  0
  4 11  2  0  0  0  0
  5 13  2  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 13  1  0  0  0  0
  7 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7 14  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 25  1  0  0  0  0
  9 11  1  0  0  0  0
  9 22  1  0  0  0  0
  9 23  1  0  0  0  0
 12 15  1  0  0  0  0
 12 16  1  0  0  0  0
 12 24  1  0  0  0  0
 14 17  2  0  0  0  0
 14 18  1  0  0  0  0
 15 26  1  0  0  0  0
 15 27  1  0  0  0  0
 15 28  1  0  0  0  0
 16 29  1  0  0  0  0
 16 30  1  0  0  0  0
 16 31  1  0  0  0  0
 17 20  1  0  0  0  0
 17 32  1  0  0  0  0
 18 19  2  0  0  0  0
 18 33  1  0  0  0  0
 19 21  1  0  0  0  0
 20 21  2  0  0  0  0
 21 34  1  0  0  0  0
M  END
>  <PUBCHEM_COMPOUND_CID>
37517

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
448

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

>  <PUBCHEM_CACTVS_HBOND_DONOR>
1

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzMAAGAAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAAABAAAAHgIQAAAACCrBkCQzwIPAAACIACVSUACCAAAhBwAAiICIZoiIYCLBk7GUIAholyLIyCcQAAAAAAAAAAKAAAAAAAAABQAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
3-(3,5-dichlorophenyl)-N-isopropyl-2,4-dioxo-imidazolidine-1-carboxamide

>  <PUBCHEM_IUPAC_CAS_NAME>
3-(3,5-dichlorophenyl)-2,4-dioxo-N-propan-2-yl-1-imidazolidinecarboxamide

>  <PUBCHEM_IUPAC_NAME_MARKUP>
3-(3,5-dichlorophenyl)-2,4-dioxo-<I>N</I>-propan-2-ylimidazolidine-1-carboxamide

>  <PUBCHEM_IUPAC_NAME>
3-(3,5-dichlorophenyl)-2,4-dioxo-N-propan-2-ylimidazolidine-1-carboxamide

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
3-[3,5-bis(chloranyl)phenyl]-2,4-bis(oxidanylidene)-N-propan-2-yl-imidazolidine-1-carboxamide

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
3-(3,5-dichlorophenyl)-N-isopropyl-2,4-diketo-imidazolidine-1-carboxamide

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/C13H13Cl2N3O3/c1-7(2)16-12(20)17-6-11(19)18(13(17)21)10-4-8(14)3-9(15)5-10/h3-5,7H,6H2,1-2H3,(H,16,20)

>  <PUBCHEM_IUPAC_INCHIKEY>
ONUFESLQCSAYKA-UHFFFAOYSA-N

>  <PUBCHEM_XLOGP3>
3.1

>  <PUBCHEM_EXACT_MASS>
329.033397

>  <PUBCHEM_MOLECULAR_FORMULA>
C13H13Cl2N3O3

>  <PUBCHEM_MOLECULAR_WEIGHT>
330.16

>  <PUBCHEM_OPENEYE_CAN_SMILES>
CC(C)NC(=O)N1CC(=O)N(C1=O)C2=CC(=CC(=C2)Cl)Cl

>  <PUBCHEM_OPENEYE_ISO_SMILES>
CC(C)NC(=O)N1CC(=O)N(C1=O)C2=CC(=CC(=C2)Cl)Cl

>  <PUBCHEM_CACTVS_TPSA>
69.7

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
329.033397

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
21

>  <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

>  <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

>  <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

>  <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

>  <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

>  <PUBCHEM_COMPONENT_COUNT>
1

>  <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

>  <PUBCHEM_COORDINATE_TYPE>
1
5
255

>  <PUBCHEM_BONDANNOTATIONS>
14  17  8
14  18  8
17  20  8
18  19  8
19  21  8
20  21  8

$$$$
