Basic information
- Standard SMILES
COc1ccc(C(=O)Nc2ccc(Oc3ccccc3)cc2C(=O)O)cc1Cl- InChIKey
AOEVYXJRJQUFRA-UHFFFAOYSA-N- Molecular formula
- C21H16ClNO5
- Average molar mass
- 397.8 g/mol
Names & identifiers
- Preferred name
- 2-(3-Chloro-4-methoxybenzamido)-5-phenoxybenzoic acid
- IUPAC
- 2-[(3-chloro-4-methoxybenzoyl)amino]-5-phenoxybenzoic acid
Names & synonyms
SCHEMBL4271435AOEVYXJRJQUFRA-UHFFFAOYSA-N2-(3-chloro-4-methoxybenzamido)-5-phenoxybenzoic acid
Database identifiers
- PubChem CID
- 57796899
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 84.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 539
Related reactions
4 records
Compound notes
Loading…