
 CHEMBL3353488

 59 62  0  0  0  0  0  0  0  0999 V2000
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    1.3450    1.7338    1.5452 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3353488

>  <PubChem CID>
68175950

>  <Formula>
C27H27ClN2O2

>  <Molecular Weight>
446.975000

>  <IUPAC Name>
N-[(4-chlorophenyl)methyl]-N,2-dimethyl-1-[2-(4-phenylphenyl)acetyl]azetidine-2-carboxamide

>  <XlogP>
4.9

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CC1(CCN1C(=O)CC2=CC=C(C=C2)C3=CC=CC=C3)C(=O)N(C)CC4=CC=C(C=C4)Cl

>  <Isomeric SMILES>
CC1(CCN1C(=O)CC2=CC=C(C=C2)C3=CC=CC=C3)C(=O)N(C)CC4=CC=C(C=C4)Cl

>  <InChI Std. ID>
InChI=1S/C27H27ClN2O2/c1-27(26(32)29(2)19-21-10-14-24(28)15-11-21)16-17-30(27)25(31)18-20-8-12-23(13-9-20)22-6-4-3-5-7-22/h3-15H,16-19H2,1-2H3

>  <InChI Key>
DXADTEIDFFSVKJ-UHFFFAOYSA-N

