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SummaryGeometryRelated PDB entries

A1ASP

Summary
Name:2-(2-chlorophenyl)-N-[(2P)-2-(1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]acetamide
Formula:C18 H13 Cl F3 N3 O
Formal charge:0
Formula weight:379.764 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.012-(2-chlorophenyl)-N-[(2P)-2-(1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]acetamide
OpenEye OEToolkits2.0.72-(2-chlorophenyl)-~{N}-[2-imidazol-1-yl-5-(trifluoromethyl)phenyl]ethanamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Clc1ccccc1CC(=O)Nc1cc(ccc1n1ccnc1)C(F)(F)F
InChIInChI1.06InChI=1S/C18H13ClF3N3O/c19-14-4-2-1-3-12(14)9-17(26)24-15-10-13(18(20,21)22)5-6-16(15)25-8-7-23-11-25/h1-8,10-11H,9H2,(H,24,26)
InChIKeyInChI1.06VFTRRHXKNVCNBV-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385FC(F)(F)c1ccc(n2ccnc2)c(NC(=O)Cc3ccccc3Cl)c1
SMILESCACTVS3.385FC(F)(F)c1ccc(n2ccnc2)c(NC(=O)Cc3ccccc3Cl)c1
SMILES_CANONICALOpenEye OEToolkits2.0.7c1ccc(c(c1)CC(=O)Nc2cc(ccc2n3ccnc3)C(F)(F)F)Cl
SMILESOpenEye OEToolkits2.0.7c1ccc(c(c1)CC(=O)Nc2cc(ccc2n3ccnc3)C(F)(F)F)Cl

248335

PDB entries from 2026-01-28

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