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68Q

Summary
Name:3-{[(3,4-dichlorophenyl)carbamoyl]amino}benzoic acid
Formula:C14 H10 Cl2 N2 O3
Formal charge:0
Formula weight:325.147 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.013-{[(3,4-dichlorophenyl)carbamoyl]amino}benzoic acid
OpenEye OEToolkits2.0.43-[(3,4-dichlorophenyl)carbamoylamino]benzoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01OC(=O)c1cccc(c1)NC(=O)Nc2cc(Cl)c(cc2)Cl
InChIInChI1.03InChI=1S/C14H10Cl2N2O3/c15-11-5-4-10(7-12(11)16)18-14(21)17-9-3-1-2-8(6-9)13(19)20/h1-7H,(H,19,20)(H2,17,18,21)
InChIKeyInChI1.03RAPJIPXYCVHSNT-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385OC(=O)c1cccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)c1
SMILESCACTVS3.385OC(=O)c1cccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)c1
SMILES_CANONICALOpenEye OEToolkits2.0.4c1cc(cc(c1)NC(=O)Nc2ccc(c(c2)Cl)Cl)C(=O)O
SMILESOpenEye OEToolkits2.0.4c1cc(cc(c1)NC(=O)Nc2ccc(c(c2)Cl)Cl)C(=O)O

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PDB entries from 2024-08-07

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