3-{[(4-Chlorophenyl)carbamoyl]amino}benzoic acid
Basic information
- CAS
69194-86-1- Standard SMILES
O=C(Nc1ccc(Cl)cc1)Nc1cccc(C(=O)O)c1- InChIKey
QZVLALCHSFACLK-UHFFFAOYSA-N- Molecular formula
- C14H11ClN2O3
- Average molar mass
- 290.7 g/mol
- Monoisotopic mass
- 290.0458199
Names & identifiers
- Preferred name
- 3-{[(4-Chlorophenyl)carbamoyl]amino}benzoic acid
- IUPAC
- 3-[(4-chlorophenyl)carbamoylamino]benzoic acid
- English name
- Benzoic acid, 3-[[[(4-chlorophenyl)amino]carbonyl]amino]-
- Molecular formula
- C14H11ClN2O3
- Molecular weight
- 290.7
Names & synonyms
3-[(4-chlorophenyl)carbamoylamino]benzoic Acid3-{[(4-chlorophenyl)carbamoyl]amino}benzoic acid3-(3-(4-Chlorophenyl)ureido)benzoic acidMLS0006763893-({[(4-chlorophenyl)amino]carbonyl}amino)benzoic acidSMR000301204CHEMBL1597669BDBM60091cid_2989360HMS2655C16KUC104357NKSC-10-73
Show more names
Benzoic acid, 3-[[[(4-chlorophenyl)amino]carbonyl]amino]-
STL036029AKOS000204814ST501597493-[[(4-chloroanilino)-oxomethyl]amino]benzoic acidA1-505283-{[(4-chlorophenyl)amino]carbonylamino}benzoic acidQ274652043-(((4-CHLOROANILINO)CARBONYL)AMINO)BENZOIC ACID
Database identifiers
- CAS
69194-86-1- PubChem CID
- 2989360
- ChEMBL
CHEMBL1597669- EC Number
- 121-768-4
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 78.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 356
Physicochemical properties
- Melting point
- 280 °C · 280 °C(Solv: ethanol (64-17-5))
- Boiling point
- 390.6 · 390.6±27.0 °C(Predicted)
- Density
- 1.495 · 1.495±0.06 g/cm3(Predicted)
- pka
- 4.16 · 4.16±0.10(Predicted)
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Related reactions
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Compound notes
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