
 CHEMBL3967594

 53 56  0  0  0  0  0  0  0  0999 V2000
    4.3710   -1.0996    1.0625 C   0  0  0  0  0
    3.3099   -0.9491    2.1193 C   0  0  0  0  0
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    2.0172   -1.5029    1.9656 C   0  0  0  0  0
    1.7839   -2.3059    0.8288 N   0  0  0  0  0
    2.0653   -3.7185    0.8878 C   0  0  0  0  0
    1.6816   -4.2219   -0.4869 C   0  0  0  0  0
    0.6149   -3.2486   -0.9777 C   0  0  0  0  0
    0.8654   -1.9966   -0.1686 C   0  0  0  0  0
    0.3558   -0.9166   -0.4191 O   0  0  0  0  0
    2.9261   -4.3672   -1.3527 C   0  0  0  0  0
    3.4676   -5.4702   -1.4178 O   0  0  0  0  0
    3.4083   -3.2180   -1.9521 N   0  0  0  0  0
    4.6238   -3.1229   -2.6678 C   0  0  0  0  0
    4.7522   -2.0975   -3.6108 C   0  0  0  0  0
    5.9166   -1.9746   -4.3894 C   0  0  0  0  0
    6.9815   -2.8625   -4.1681 C   0  0  0  0  0
    6.8878   -3.8685   -3.1960 C   0  0  0  0  0
    5.6981   -3.9923   -2.4596 C   0  0  0  0  0
    8.0373   -4.8085   -2.9190 C   0  0  0  0  0
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    7.6920   -6.1176   -3.0491 F   0  0  0  0  0
    9.1006   -4.6186   -3.7495 F   0  0  0  0  0
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    6.1246   -1.4925   -6.7157 F   0  0  0  0  0
    4.9542   -0.0928   -5.5341 F   0  0  0  0  0
   -0.3631   -1.9800    2.8602 C   0  0  0  0  0
   -1.5615   -1.4317    3.6070 C   0  0  0  0  0
   -1.4560   -1.2344    2.1285 C   0  0  0  0  0
    3.9603   -0.9020    0.0672 H   0  0  0  0  0
    4.7940   -2.1082    1.0900 H   0  0  0  0  0
    5.1868   -0.3847    1.2144 H   0  0  0  0  0
    4.6136    0.1651    3.4411 H   0  0  0  0  0
    2.9232    0.4118    5.2155 H   0  0  0  0  0
    0.6872   -0.5456    4.9516 H   0  0  0  0  0
    1.4296   -4.1766    1.6531 H   0  0  0  0  0
    3.1156   -3.8913    1.1433 H   0  0  0  0  0
    1.2472   -5.2278   -0.4239 H   0  0  0  0  0
    0.6761   -3.0386   -2.0477 H   0  0  0  0  0
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    2.7892   -2.4205   -2.0343 H   0  0  0  0  0
    3.9264   -1.4083   -3.7837 H   0  0  0  0  0
    7.8915   -2.7691   -4.7643 H   0  0  0  0  0
    5.6447   -4.7718   -1.7013 H   0  0  0  0  0
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   -2.2944   -2.1425    3.9732 H   0  0  0  0  0
   -2.1194   -1.8014    1.4866 H   0  0  0  0  0
   -1.2459   -0.2335    1.7648 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  7  1  0  0  0
  2  3  2  0  0  0
  3  4  1  0  0  0
  3 37  1  0  0  0
  4  5  2  0  0  0
  4 38  1  0  0  0
  5  6  1  0  0  0
  5 39  1  0  0  0
  6  7  2  0  0  0
  6 31  1  0  0  0
  7  8  1  0  0  0
  8 12  1  0  0  0
  8  9  1  0  0  0
  9 10  1  0  0  0
  9 40  1  0  0  0
  9 41  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3967594

>  <PubChem CID>
88954679

>  <Formula>
C23H20F6N2O2

>  <Molecular Weight>
470.415000

>  <IUPAC Name>
N-[3,5-bis(trifluoromethyl)phenyl]-1-(2-cyclopropyl-6-methylphenyl)-5-oxopyrrolidine-3-carboxamide

>  <XlogP>
4.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
CC1=CC=CC(=C1N2CC(CC2=O)C(=O)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C4CC4

>  <Isomeric SMILES>
CC1=CC=CC(=C1N2CC(CC2=O)C(=O)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C4CC4

>  <InChI Std. ID>
InChI=1S/C23H20F6N2O2/c1-12-3-2-4-18(13-5-6-13)20(12)31-11-14(7-19(31)32)21(33)30-17-9-15(22(24,25)26)8-16(10-17)23(27,28)29/h2-4,8-10,13-14H,5-7,11H2,1H3,(H,30,33)

>  <InChI Key>
AUMCAWDWUIRNQN-UHFFFAOYSA-N

