
 CHEMBL1682637

 77 81  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL1682637

>  <PubChem CID>
53324972

>  <Formula>
C33H34Cl2F3N3O2

>  <Molecular Weight>
632.549000

>  <IUPAC Name>
2-[(4-acetamido-4-phenylpiperidin-1-yl)methyl]-1-(3,4-dichlorophenyl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]cyclopropane-1-carboxamide

>  <XlogP>
6.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC(=O)NC1(CCN(CC1)CC2CC2(C3=CC(=C(C=C3)Cl)Cl)C(=O)N(C)CC4=CC=C(C=C4)C(F)(F)F)C5=CC=CC=C5

>  <Isomeric SMILES>
CC(=O)NC1(CCN(CC1)CC2CC2(C3=CC(=C(C=C3)Cl)Cl)C(=O)N(C)CC4=CC=C(C=C4)C(F)(F)F)C5=CC=CC=C5

>  <InChI Std. ID>
InChI=1S/C33H34Cl2F3N3O2/c1-22(42)39-31(24-6-4-3-5-7-24)14-16-41(17-15-31)21-27-19-32(27,26-12-13-28(34)29(35)18-26)30(43)40(2)20-23-8-10-25(11-9-23)33(36,37)38/h3-13,18,27H,14-17,19-21H2,1-2H3,(H,39,42)

>  <InChI Key>
BHFWFRYXVQJKHL-UHFFFAOYSA-N

