
 CHEMBL3920550

 52 54  0  0  0  0  0  0  0  0999 V2000
    1.0727   -0.0121   -1.4987 C   0  0  0  0  0
    1.3823    0.3692   -0.0431 C   0  0  0  0  0
    1.7687   -0.8861    0.7538 C   0  0  0  0  0
    2.4068    1.5454    0.1274 C   0  0  0  0  0
    1.9335    2.8089   -0.6093 C   0  0  0  0  0
    2.2974    3.9520    0.3048 C   0  0  0  0  0
    2.2575    5.1235   -0.0369 O   0  0  0  0  0
    2.7023    3.4268    1.5384 N   0  0  0  0  0
    2.4406    2.0009    1.5930 C   0  0  0  0  0
    2.8519    4.2042    2.7286 C   0  0  0  0  0
    2.0842    5.3725    2.8859 C   0  0  0  0  0
    2.1531    6.1432    4.0518 C   0  0  0  0  0
    2.9997    5.7685    5.0862 C   0  0  0  0  0
    3.7935    4.6337    4.9453 C   0  0  0  0  0
    3.7315    3.8604    3.7758 C   0  0  0  0  0
    4.9073    2.5948    3.6550 Cl  0  0  0  0  0
    3.8286    1.1596   -0.3653 C   0  0  0  0  0
    3.9965    0.1995   -1.1113 O   0  0  0  0  0
    4.8516    2.0076    0.0305 N   0  0  0  0  0
    6.2365    1.8266   -0.1843 C   0  0  0  0  0
    7.0899    2.8621    0.2173 C   0  0  0  0  0
    8.4819    2.7625    0.0497 C   0  0  0  0  0
    9.0175    1.5969   -0.5200 C   0  0  0  0  0
    8.1817    0.5452   -0.9186 C   0  0  0  0  0
    6.7937    0.6741   -0.7427 C   0  0  0  0  0
    8.7396   -0.7258   -1.5142 C   0  0  0  0  0
    8.5431   -1.8059   -0.7092 F   0  0  0  0  0
    8.1750   -1.0388   -2.7121 F   0  0  0  0  0
   10.0823   -0.6698   -1.7397 F   0  0  0  0  0
    9.4014    3.8869    0.4630 C   0  0  0  0  0
   10.3436    3.4835    1.3591 F   0  0  0  0  0
   10.0863    4.4084   -0.5917 F   0  0  0  0  0
    8.7551    4.9342    1.0455 F   0  0  0  0  0
    0.8026    0.8608   -2.0996 H   0  0  0  0  0
    0.2213   -0.7016   -1.5310 H   0  0  0  0  0
    1.9072   -0.5191   -1.9892 H   0  0  0  0  0
    0.4262    0.7145    0.3769 H   0  0  0  0  0
    2.7092   -1.3243    0.4070 H   0  0  0  0  0
    0.9951   -1.6557    0.6557 H   0  0  0  0  0
    1.8727   -0.6652    1.8204 H   0  0  0  0  0
    0.8462    2.8350   -0.7404 H   0  0  0  0  0
    2.4242    2.9414   -1.5782 H   0  0  0  0  0
    3.1817    1.4464    2.1657 H   0  0  0  0  0
    1.4639    1.8753    2.0778 H   0  0  0  0  0
    1.3889    5.6976    2.1151 H   0  0  0  0  0
    1.5395    7.0369    4.1445 H   0  0  0  0  0
    3.0581    6.3689    5.9910 H   0  0  0  0  0
    4.4833    4.3688    5.7435 H   0  0  0  0  0
    4.6026    2.8471    0.5440 H   0  0  0  0  0
    6.6765    3.7675    0.6613 H   0  0  0  0  0
   10.0974    1.5103   -0.6516 H   0  0  0  0  0
    6.1716   -0.1650   -1.0453 H   0  0  0  0  0
  1  2  1  0  0  0
  1 34  1  0  0  0
  1 35  1  0  0  0
  1 36  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  2 37  1  0  0  0
  3 38  1  0  0  0
  3 39  1  0  0  0
  3 40  1  0  0  0
  4  9  1  0  0  0
  4  5  1  0  0  0
  4 17  1  0  0  0
  5  6  1  0  0  0
  5 41  1  0  0  0
  5 42  1  0  0  0
  6  8  1  0  0  0
  6  7  2  0  0  0
  8  9  1  0  0  0
  8 10  1  0  0  0
  9 43  1  0  0  0
  9 44  1  0  0  0
 10 11  2  0  0  0
 10 15  1  0  0  0
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 15 16  1  0  0  0
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 17 18  2  0  0  0
 19 20  1  0  0  0
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 20 21  2  0  0  0
 21 22  1  0  0  0
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 22 23  2  0  0  0
 22 30  1  0  0  0
 23 24  1  0  0  0
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 24 25  2  0  0  0
 24 26  1  0  0  0
 25 52  1  0  0  0
 26 29  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3920550

>  <PubChem CID>
88954744

>  <Formula>
C22H19ClF6N2O2

>  <Molecular Weight>
492.846000

>  <IUPAC Name>
N-[3,5-bis(trifluoromethyl)phenyl]-1-(2-chlorophenyl)-5-oxo-3-propan-2-ylpyrrolidine-3-carboxamide

>  <XlogP>
5.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
CC(C)C1(CC(=O)N(C1)C2=CC=CC=C2Cl)C(=O)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

>  <Isomeric SMILES>
CC(C)C1(CC(=O)N(C1)C2=CC=CC=C2Cl)C(=O)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

>  <InChI Std. ID>
InChI=1S/C22H19ClF6N2O2/c1-12(2)20(10-18(32)31(11-20)17-6-4-3-5-16(17)23)19(33)30-15-8-13(21(24,25)26)7-14(9-15)22(27,28)29/h3-9,12H,10-11H2,1-2H3,(H,30,33)

>  <InChI Key>
FVXGJJBXXFCQIA-UHFFFAOYSA-N

