5-Chloro-2-({[3-(furan-3-yl)phenyl]carbonyl}amino)benzoic acid
Basic information
- Standard SMILES
O=C(Nc1ccc(Cl)cc1C(=O)O)c1cccc(-c2ccoc2)c1- InChIKey
DZQSLFYXCUTPIJ-UHFFFAOYSA-N- Molecular formula
- C18H12ClNO4
- Average molar mass
- 341.7 g/mol
- Monoisotopic mass
- 341.0454856
Names & identifiers
- Preferred name
- 5-Chloro-2-({[3-(furan-3-yl)phenyl]carbonyl}amino)benzoic acid
- IUPAC
- 5-chloro-2-[[3-(furan-3-yl)benzoyl]amino]benzoic acid
Names & synonyms
CHEMBL4218241SCHEMBL420979DZQSLFYXCUTPIJ-UHFFFAOYSA-NBDBM504545845-chloro-2-({[3-(furan-3-yl)phenyl]carbonyl}amino)benzoic acid
Database identifiers
- PubChem CID
- 46935554
- ChEMBL
CHEMBL4218241
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 79.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 472
Related reactions
1 records
Compound notes
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