4-[[4-[(4-Carboxyphenyl)carbamoyl]benzoyl]amino]benzoic acid
Basic information
- CAS
70142-79-9- Standard SMILES
O=C(O)c1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(C(=O)O)cc3)cc2)cc1- InChIKey
YMHCRCLTDUMGCW-UHFFFAOYSA-N- Molecular formula
- C22H16N2O6
- Average molar mass
- 404.4 g/mol
- Monoisotopic mass
- 404.10083623
Names & identifiers
- Preferred name
- 4-[[4-[(4-Carboxyphenyl)carbamoyl]benzoyl]amino]benzoic acid
- IUPAC
- 4-[[4-[(4-carboxyphenyl)carbamoyl]benzoyl]amino]benzoic acid
Names & synonyms
70142-79-9Benzoic acid,4,4'-[1,4-phenylenebis(carbonylimino)]bis-4,4'-[1,4-Phenylenebis(carbonylazanediyl)]dibenzoic acid4-[[4-[(4-carboxyphenyl)carbamoyl]benzoyl]amino]benzoic acid4,4'-[1,4-phenylenebis(carbonylimino)]dibenzoic acidDi-4,4'-[terephthaloyldiimino]benzoic acidCambridge id 5181410Oprea1_776253CBDivE_010751SCHEMBL8827340DTXSID10288271YMHCRCLTDUMGCW-UHFFFAOYSA-N
Show more names
4-({4-[(4-carboxyanilino)carbonyl]benzoyl}amino)benzoic acidNSC55155NSC-55155STK668148AKOS001702329N,N'-terephthaloylbis(p-aminobenzoic acid)DS-007171AE-848/34541061
Database identifiers
- CAS
70142-79-9- PubChem CID
- 244302
- DTXSID
DTXSID10288271
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 133 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 586
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Related reactions
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Compound notes
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