Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

NV9

Summary
Name:2-(3-chlorophenyl)-N-(4-phenylpyridin-3-yl)acetamide
Formula:C19 H15 Cl N2 O
Formal charge:0
Formula weight:322.788 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.012-(3-chlorophenyl)-N-(4-phenylpyridin-3-yl)acetamide
OpenEye OEToolkits2.0.72-(3-chlorophenyl)-~{N}-(4-phenylpyridin-3-yl)ethanamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(Nc1cnccc1c1ccccc1)Cc1cccc(Cl)c1
InChIInChI1.06InChI=1S/C19H15ClN2O/c20-16-8-4-5-14(11-16)12-19(23)22-18-13-21-10-9-17(18)15-6-2-1-3-7-15/h1-11,13H,12H2,(H,22,23)
InChIKeyInChI1.06VSOZJTYJJHNDPD-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Clc1cccc(CC(=O)Nc2cnccc2c3ccccc3)c1
SMILESCACTVS3.385Clc1cccc(CC(=O)Nc2cnccc2c3ccccc3)c1
SMILES_CANONICALOpenEye OEToolkits2.0.7c1ccc(cc1)c2ccncc2NC(=O)Cc3cccc(c3)Cl
SMILESOpenEye OEToolkits2.0.7c1ccc(cc1)c2ccncc2NC(=O)Cc3cccc(c3)Cl

218853

PDB entries from 2024-04-24

PDB statisticsPDBj update infoContact PDBjnumon