
 CHEMBL3958290

 43 45  0  0  0  0  0  0  0  0999 V2000
    3.7780   -0.5026    0.3106 C   0  0  0  0  0
    3.5950   -0.6526    1.7975 C   0  0  0  0  0
    2.8067   -1.6839    2.3570 C   0  0  0  0  0
    2.6251   -1.7605    3.7549 C   0  0  0  0  0
    3.2265   -0.7887    4.5718 C   0  0  0  0  0
    4.0143    0.2201    4.0237 C   0  0  0  0  0
    4.1992    0.2868    2.6463 C   0  0  0  0  0
    1.8040   -2.8301    4.4221 C   0  0  0  0  0
    2.2635   -2.6563    1.4889 N   0  0  0  0  0
    3.0811   -3.7745    1.0835 C   0  0  0  0  0
    2.1729   -4.5632    0.1650 C   0  0  0  0  0
    0.7678   -4.2852    0.6860 C   0  0  0  0  0
    0.9074   -2.9664    1.4126 C   0  0  0  0  0
   -0.0418   -2.3094    1.8096 O   0  0  0  0  0
    2.4454   -4.1806   -1.2855 C   0  0  0  0  0
    3.2053   -4.8862   -1.9495 O   0  0  0  0  0
    1.8697   -3.0030   -1.7287 N   0  0  0  0  0
    2.1123   -2.3701   -2.9680 C   0  0  0  0  0
    1.1929   -1.4019   -3.3879 C   0  0  0  0  0
    1.3698   -0.7474   -4.6093 C   0  0  0  0  0
    2.4732   -1.0210   -5.4097 C   0  0  0  0  0
    3.4018   -1.9616   -4.9772 C   0  0  0  0  0
    3.2253   -2.6402   -3.7687 C   0  0  0  0  0
    4.7938   -2.2828   -5.9395 Cl  0  0  0  0  0
    0.2037    0.4052   -5.1334 Cl  0  0  0  0  0
    4.3951   -1.3118   -0.0885 H   0  0  0  0  0
    4.2736    0.4421    0.0614 H   0  0  0  0  0
    2.8065   -0.4955   -0.1939 H   0  0  0  0  0
    3.0901   -0.8188    5.6512 H   0  0  0  0  0
    4.4784    0.9597    4.6712 H   0  0  0  0  0
    4.8079    1.0898    2.2358 H   0  0  0  0  0
    1.9672   -3.8074    3.9585 H   0  0  0  0  0
    0.7414   -2.5754    4.3795 H   0  0  0  0  0
    2.0834   -2.9404    5.4760 H   0  0  0  0  0
    3.3282   -4.3660    1.9729 H   0  0  0  0  0
    4.0069   -3.4407    0.6079 H   0  0  0  0  0
    2.3817   -5.6385    0.2349 H   0  0  0  0  0
    0.0167   -4.2157   -0.1053 H   0  0  0  0  0
    0.4630   -5.0412    1.4174 H   0  0  0  0  0
    1.1301   -2.5913   -1.1713 H   0  0  0  0  0
    0.3184   -1.1673   -2.7851 H   0  0  0  0  0
    2.6107   -0.5066   -6.3562 H   0  0  0  0  0
    3.9830   -3.3545   -3.4618 H   0  0  0  0  0
  1  2  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  2  3  2  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  3  9  1  0  0  0
  4  5  2  0  0  0
  4  8  1  0  0  0
  5  6  1  0  0  0
  5 29  1  0  0  0
  6  7  2  0  0  0
  6 30  1  0  0  0
  7 31  1  0  0  0
  8 32  1  0  0  0
  8 33  1  0  0  0
  8 34  1  0  0  0
  9 13  1  0  0  0
  9 10  1  0  0  0
 10 11  1  0  0  0
 10 35  1  0  0  0
 10 36  1  0  0  0
 11 12  1  0  0  0
 11 15  1  0  0  0
 11 37  1  0  0  0
 12 13  1  0  0  0
 12 38  1  0  0  0
 12 39  1  0  0  0
 13 14  2  0  0  0
 15 17  1  0  0  0
 15 16  2  0  0  0
 17 18  1  0  0  0
 17 40  1  0  0  0
 18 23  1  0  0  0
 18 19  2  0  0  0
 19 20  1  0  0  0
 19 41  1  0  0  0
 20 21  2  0  0  0
 20 25  1  0  0  0
 21 22  1  0  0  0
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 22 23  2  0  0  0
 22 24  1  0  0  0
 23 43  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3958290

>  <PubChem CID>
68365507

>  <Formula>
C19H18Cl2N2O2

>  <Molecular Weight>
377.265000

>  <IUPAC Name>
N-(3,5-dichlorophenyl)-1-(2,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide

>  <XlogP>
3.8

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CC1=C(C(=CC=C1)C)N2CC(CC2=O)C(=O)NC3=CC(=CC(=C3)Cl)Cl

>  <Isomeric SMILES>
CC1=C(C(=CC=C1)C)N2CC(CC2=O)C(=O)NC3=CC(=CC(=C3)Cl)Cl

>  <InChI Std. ID>
InChI=1S/C19H18Cl2N2O2/c1-11-4-3-5-12(2)18(11)23-10-13(6-17(23)24)19(25)22-16-8-14(20)7-15(21)9-16/h3-5,7-9,13H,6,10H2,1-2H3,(H,22,25)

>  <InChI Key>
HSDSSIBCZOFIBG-UHFFFAOYSA-N

