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A1BJH

Summary
Name:3-{[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]carbamoyl}pyridine-2-carboxylic acid
Formula:C15 H11 Cl F N3 O4
Formal charge:0
Formula weight:351.717 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.523-{[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]carbamoyl}pyridine-2-carboxylic acid
OpenEye OEToolkits3.1.0.03-[[2-[(3-chloranyl-4-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl]carbamoyl]pyridine-2-carboxylic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52OC(=O)c1ncccc1C(=O)NCC(=O)Nc1ccc(F)c(Cl)c1
InChIInChI1.06InChI=1S/C15H11ClFN3O4/c16-10-6-8(3-4-11(10)17)20-12(21)7-19-14(22)9-2-1-5-18-13(9)15(23)24/h1-6H,7H2,(H,19,22)(H,20,21)(H,23,24)
InChIKeyInChI1.06SEYIPRFGSMAHNV-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385OC(=O)c1ncccc1C(=O)NCC(=O)Nc2ccc(F)c(Cl)c2
SMILESCACTVS3.385OC(=O)c1ncccc1C(=O)NCC(=O)Nc2ccc(F)c(Cl)c2
SMILES_CANONICALOpenEye OEToolkits3.1.0.0c1cc(c(nc1)C(=O)O)C(=O)NCC(=O)Nc2ccc(c(c2)Cl)F
SMILESOpenEye OEToolkits3.1.0.0c1cc(c(nc1)C(=O)O)C(=O)NCC(=O)Nc2ccc(c(c2)Cl)F

247947

PDB entries from 2026-01-21

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