
 CHEMBL3914663

 55 57  0  0  0  0  0  0  0  0999 V2000
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    1.3804  -10.4682   -4.6947 Br  0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3914663

>  <PubChem CID>
68365600

>  <Formula>
C23H24BrF3N2O2

>  <Molecular Weight>
497.356000

>  <IUPAC Name>
N-[3-bromo-5-(trifluoromethyl)phenyl]-1-(2,6-dimethylphenyl)-5-oxo-3-propan-2-ylpyrrolidine-3-carboxamide

>  <XlogP>
5.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

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

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

>  <InChI Std. ID>
InChI=1S/C23H24BrF3N2O2/c1-13(2)22(11-19(30)29(12-22)20-14(3)6-5-7-15(20)4)21(31)28-18-9-16(23(25,26)27)8-17(24)10-18/h5-10,13H,11-12H2,1-4H3,(H,28,31)

>  <InChI Key>
JMNUNNFITFYKAW-UHFFFAOYSA-N

