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OHC

Summary
Name:2-[3-(acetamidomethyl)-5-chlorophenyl]-N-(4-methylpyridin-3-yl)acetamide
Formula:C17 H18 Cl N3 O2
Formal charge:0
Formula weight:331.797 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.012-[3-(acetamidomethyl)-5-chlorophenyl]-N-(4-methylpyridin-3-yl)acetamide
OpenEye OEToolkits2.0.72-[3-(acetamidomethyl)-5-chloranyl-phenyl]-~{N}-(4-methylpyridin-3-yl)ethanamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(Nc1cnccc1C)Cc1cc(CNC(C)=O)cc(Cl)c1
InChIInChI1.06InChI=1S/C17H18ClN3O2/c1-11-3-4-19-10-16(11)21-17(23)8-13-5-14(7-15(18)6-13)9-20-12(2)22/h3-7,10H,8-9H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyInChI1.06XDVRTJWPDGZLAS-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CC(=O)NCc1cc(Cl)cc(CC(=O)Nc2cnccc2C)c1
SMILESCACTVS3.385CC(=O)NCc1cc(Cl)cc(CC(=O)Nc2cnccc2C)c1
SMILES_CANONICALOpenEye OEToolkits2.0.7Cc1ccncc1NC(=O)Cc2cc(cc(c2)Cl)CNC(=O)C
SMILESOpenEye OEToolkits2.0.7Cc1ccncc1NC(=O)Cc2cc(cc(c2)Cl)CNC(=O)C

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PDB entries from 2024-07-24

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