
 SCHEMBL1603530

 52 54  0  0  0  0  0  0  0  0999 V2000
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    2.2893   -1.4090   -1.2682 N   0  0  0  0  0
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    6.2881    0.5327    3.6997 C   0  0  0  0  0
    6.6821   -0.8541    3.2585 C   0  0  0  0  0
    0.2976    0.2332    0.1277 H   0  0  0  0  0
    0.5885    1.9179    0.5623 H   0  0  0  0  0
    0.3810    0.7182    1.8300 H   0  0  0  0  0
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M  END

>  <Chemical Name>
SCHEMBL1603530

>  <PubChem CID>
51034890

>  <Formula>
C22H20F6N2O2

>  <Molecular Weight>
458.404000

>  <IUPAC Name>
N-[3,5-bis(trifluoromethyl)phenyl]-3,4-dimethyl-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide

>  <XlogP>
4.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
CC1C(=O)N(CC1(C)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C3=CC=CC=C3C

>  <Isomeric SMILES>
CC1C(=O)N(CC1(C)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C3=CC=CC=C3C

>  <InChI Std. ID>
InChI=1S/C22H20F6N2O2/c1-12-6-4-5-7-17(12)30-11-20(3,13(2)18(30)31)19(32)29-16-9-14(21(23,24)25)8-15(10-16)22(26,27)28/h4-10,13H,11H2,1-3H3,(H,29,32)

>  <InChI Key>
HCWQBDPIQNCVFS-UHFFFAOYSA-N

