Basic information
- CAS
2164-95-6- Standard SMILES
O=C(Nc1ccccc1)Nc1ccccc1C(=O)O- InChIKey
RQPVXOUSZLDZFI-UHFFFAOYSA-N- Molecular formula
- C14H12N2O3
- Average molar mass
- 256.26 g/mol
- Monoisotopic mass
- 256.08479225
Overview
See also: 2-(3-Phenylureido)benzoic acid (annotation moved to).
Names & identifiers
- Preferred name
- 2-(Phenylcarbamoylamino)benzoic acid
- IUPAC
- 2-(phenylcarbamoylamino)benzoic acid
- English name
- AKOS BBS-00005677
- Molecular formula
- C14H12N2O3
- Molecular weight
- 256.26
Names & synonyms
2-(phenylcarbamoylamino)benzoic acid2164-95-62-[(Anilinocarbonyl)amino]benzoic acidCHEMBL1570632-[(phenylcarbamoyl)amino]benzoic acido-(3-Phenylureido)benzoic acidMaybridge1_005476CBMicro_028578Cambridge id 5579848Oprea1_642948DivK1c_001764SCHEMBL1462332
Show more names
ASISCHEM C58415AKOS BBS-000056772-(3-PHENYLUREIDO)BENZOIC ACIDBenzoic acid, 2-[[(phenylamino)carbonyl]amino]-
SCHEMBL31580808HMS557A20DTXSID10277488NSC2540RQPVXOUSZLDZFI-UHFFFAOYSA-N2-(3-Phenyl-ureido)-benzoic acidNSC-2540BDBM50137155
Database identifiers
- CAS
2164-95-6- PubChem CID
- 220181
- DTXSID
DTXSID10277488- ChEMBL
CHEMBL157063- Nikkaji
- J1.427.316F
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
- 19
- Formal charge
- 0
- Complexity
- 327
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H302
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H302
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
Chemistry & industry
Suppliers4 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…