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A1CQD

Summary
Name:3-hydroxy-N-[(1H-pyrrol-2-yl)methyl]-4-(trifluoromethyl)benzamide
Formula:C13 H11 F3 N2 O2
Formal charge:0
Formula weight:284.234 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.523-hydroxy-N-[(1H-pyrrol-2-yl)methyl]-4-(trifluoromethyl)benzamide
OpenEye OEToolkits3.1.0.03-oxidanyl-~{N}-(1~{H}-pyrrol-2-ylmethyl)-4-(trifluoromethyl)benzamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52O=C(NCc1ccc[NH]1)c1ccc(c(O)c1)C(F)(F)F
InChIInChI1.06InChI=1S/C13H11F3N2O2/c14-13(15,16)10-4-3-8(6-11(10)19)12(20)18-7-9-2-1-5-17-9/h1-6,17,19H,7H2,(H,18,20)
InChIKeyInChI1.06AFPZIKSWCGYLPB-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Oc1cc(ccc1C(F)(F)F)C(=O)NCc2[nH]ccc2
SMILESCACTVS3.385Oc1cc(ccc1C(F)(F)F)C(=O)NCc2[nH]ccc2
SMILES_CANONICALOpenEye OEToolkits3.1.0.0c1cc([nH]c1)CNC(=O)c2ccc(c(c2)O)C(F)(F)F
SMILESOpenEye OEToolkits3.1.0.0c1cc([nH]c1)CNC(=O)c2ccc(c(c2)O)C(F)(F)F

253795

PDB entries from 2026-05-20

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