Basic information
- CAS
54057-67-9- Standard SMILES
O=C(Nc1ccc(F)cc1)Nc1ccc(C(=O)O)cc1- InChIKey
AVWPUDZDICVVFD-UHFFFAOYSA-N- Molecular formula
- C14H11FN2O3
- Average molar mass
- 274.25 g/mol
- Monoisotopic mass
- 274.07537038
Names & identifiers
- Preferred name
- 4-[(4-fluorophenyl)carbamoylamino]benzoic Acid
- IUPAC
- 4-[(4-fluorophenyl)carbamoylamino]benzoic acid
Names & synonyms
54057-67-94-{[(4-fluorophenyl)carbamoyl]amino}benzoic acid4-[[[(4-Fluorophenyl)amino]carbonyl]amino]benzoic acid4-({[(4-FLUOROPHENYL)AMINO]CARBONYL}AMINO)BENZOIC ACID4-[(4-fluorophenyl)carbamoylamino]benzoic AcidSCHEMBL4922979DTXSID501210182STK455234AKOS0001303354-(3-(4-Fluorophenyl)ureido)benzoic acid4-[(4-fluorophenyl)carbamamido]benzoic acidST50852672
Show more names
SR-01000277644A1-69900SR-01000277644-14-{[(4-fluorophenyl)amino]carbonylamino}benzoic acid
Database identifiers
- CAS
54057-67-9- PubChem CID
- 970956
- DTXSID
DTXSID501210182
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 78.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 348
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…