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A1BQD

Summary
Name:3-[3-chloro-2-(2-methoxyacetamido)-5-methylphenoxy]benzamide
Formula:C17 H17 Cl N2 O4
Formal charge:0
Formula weight:348.781 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.523-[3-chloro-2-(2-methoxyacetamido)-5-methylphenoxy]benzamide
OpenEye OEToolkits3.1.0.03-[3-chloranyl-2-(2-methoxyethanoylamino)-5-methyl-phenoxy]benzamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52Clc1cc(C)cc(Oc2cc(ccc2)C(N)=O)c1NC(=O)COC
InChIInChI1.06InChI=1S/C17H17ClN2O4/c1-10-6-13(18)16(20-15(21)9-23-2)14(7-10)24-12-5-3-4-11(8-12)17(19)22/h3-8H,9H2,1-2H3,(H2,19,22)(H,20,21)
InChIKeyInChI1.06LXRCATLQYMSZTR-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385COCC(=O)Nc1c(Cl)cc(C)cc1Oc2cccc(c2)C(N)=O
SMILESCACTVS3.385COCC(=O)Nc1c(Cl)cc(C)cc1Oc2cccc(c2)C(N)=O
SMILES_CANONICALOpenEye OEToolkits3.1.0.0Cc1cc(c(c(c1)Cl)NC(=O)COC)Oc2cccc(c2)C(=O)N
SMILESOpenEye OEToolkits3.1.0.0Cc1cc(c(c(c1)Cl)NC(=O)COC)Oc2cccc(c2)C(=O)N

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PDB entries from 2026-02-04

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