
 CHEMBL3701903

 51 53  0  0  0  0  0  0  0  0999 V2000
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  4 34  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3701903

>  <PubChem CID>
68325662

>  <Formula>
C21H24ClF3N2

>  <Molecular Weight>
396.882000

>  <IUPAC Name>
N-[1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-4-(2-piperidin-3-ylethyl)aniline

>  <XlogP>
6.1

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1CC(CNC1)CCC2=CC=C(C=C2)NC(C3=CC=C(C=C3)Cl)C(F)(F)F

>  <Isomeric SMILES>
C1CC(CNC1)CCC2=CC=C(C=C2)NC(C3=CC=C(C=C3)Cl)C(F)(F)F

>  <InChI Std. ID>
InChI=1S/C21H24ClF3N2/c22-18-9-7-17(8-10-18)20(21(23,24)25)27-19-11-5-15(6-12-19)3-4-16-2-1-13-26-14-16/h5-12,16,20,26-27H,1-4,13-14H2

>  <InChI Key>
BEOYESMOQLVWGJ-UHFFFAOYSA-N

