
 CHEMBL565894

 73 76  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL565894

>  <PubChem CID>
25221995

>  <Formula>
C29H33Cl2F4N3O2

>  <Molecular Weight>
602.496000

>  <IUPAC Name>
2-(3,4-dichlorophenyl)-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-N,2-dimethyl-4-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]butanamide

>  <XlogP>
6.0

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CC(CCN1CCC(CC1)N2CCCC2=O)(C3=CC(=C(C=C3)Cl)Cl)C(=O)N(C)CC4=CC(=C(C=C4)F)C(F)(F)F

>  <Isomeric SMILES>
CC(CCN1CCC(CC1)N2CCCC2=O)(C3=CC(=C(C=C3)Cl)Cl)C(=O)N(C)CC4=CC(=C(C=C4)F)C(F)(F)F

>  <InChI Std. ID>
InChI=1S/C29H33Cl2F4N3O2/c1-28(20-6-7-23(30)24(31)17-20,11-15-37-13-9-21(10-14-37)38-12-3-4-26(38)39)27(40)36(2)18-19-5-8-25(32)22(16-19)29(33,34)35/h5-8,16-17,21H,3-4,9-15,18H2,1-2H3

>  <InChI Key>
XNEWLEJBYAVWCK-UHFFFAOYSA-N

