
 CHEMBL189496

 47 50  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL189496

>  <PubChem CID>
44397262

>  <Formula>
C20H20Cl2N2O3

>  <Molecular Weight>
407.291000

>  <IUPAC Name>
N-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-3-yl]-3,5-dichlorobenzamide

>  <XlogP>
4.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CC(CN(C1)CC2=CC3=C(C=C2)OCO3)NC(=O)C4=CC(=CC(=C4)Cl)Cl

>  <Isomeric SMILES>
C1CC(CN(C1)CC2=CC3=C(C=C2)OCO3)NC(=O)C4=CC(=CC(=C4)Cl)Cl

>  <InChI Std. ID>
InChI=1S/C20H20Cl2N2O3/c21-15-7-14(8-16(22)9-15)20(25)23-17-2-1-5-24(11-17)10-13-3-4-18-19(6-13)27-12-26-18/h3-4,6-9,17H,1-2,5,10-12H2,(H,23,25)

>  <InChI Key>
KNMAQJJONKQGFX-UHFFFAOYSA-N

