Basic information
- Standard SMILES
O=C(O)c1ccc(CNC(=O)c2cc(Cl)cnc2Oc2ccc(F)cc2)cc1- InChIKey
DJRNTZODJOPRSE-UHFFFAOYSA-N- Molecular formula
- C20H14ClFN2O4
- Average molar mass
- 400.8 g/mol
Names & identifiers
- Preferred name
- 4-[({[5-Chloro-2-(4-fluorophenoxy)pyridin-3-YL]carbonyl}amino)methyl]benzoic acid
- IUPAC
- 4-[[[5-chloro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]methyl]benzoic acid
Names & synonyms
CHEMBL4065183SCHEMBL4448217DJRNTZODJOPRSE-UHFFFAOYSA-NBDBM50232547DB-3802324-[({[5-CHLORO-2-(4-FLUOROPHENOXY)PYRIDIN-3-YL]CARBONYL}AMINO)METHYL]BENZOIC ACID4-[[[[5-chloro-2-(4-fluorophenoxy)-3-pyridinyl]carbonyl]amino]methyl]Benzoic acid847727-76-8
Database identifiers
- PubChem CID
- 58905349
- ChEMBL
CHEMBL4065183
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 88.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 536
Related reactions
2 records
Compound notes
Loading…