Basic information
- CAS
61629-60-5- Standard SMILES
COc1ccc(Cl)cc1C(=O)NCCc1ccc(CCC(=O)O)cc1- InChIKey
AIEFQKOARQRACO-UHFFFAOYSA-N- Molecular formula
- C19H20ClNO4
- Average molar mass
- 361.8 g/mol
- Monoisotopic mass
- 361.1080858
Names & identifiers
- Preferred name
- HB 093
- IUPAC
- 3-[4-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]phenyl]propanoic acid
- English name
- 3-[4-[2-[(5-chloro-2-methoxy-benzoyl)amino]ethyl]phenyl]propanoic acid
- Molecular formula
- C19H20ClNO4
- Molecular weight
- 361.82
Names & synonyms
61629-60-5HB 093BRN 21685714-(2-((5-Chloro-2-methoxybenzoyl)amino)ethyl)hydrocinnamic acidDTXSID00210642Benzenepropanoic acid, 4-(2-((5-chloro-2-methoxybenzoyl)amino)ethyl)-3-(4-(2-(5-Chlor-2-methoxy-benzamido)-aethyl)phenyl)-propionsaeure [German]NSC 3197453-(4-(2-(5-Chlor-2-methoxy-benzamido)-aethyl)phenyl)-propionsaeureHYDROCINNAMIC ACID, 4-(2-((5-CHLORO-2-METHOXYBENZOYL)AMINO)ETHYL)-Benzenepropanoic acid, 4-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]-RefChem:347081
Show more names
3-(4-(2-(5-chloro-2-methoxybenzamido)ethyl)phenyl)propanoic acid
DTXCID30133133Benzenepropanoic acid, 4-(2-((5-chloro-2-methoxybenzoyl)amino)ethyl)-(9CI)NSC-3197453-[4-[2-[(5-CHLORO-2-METHOXY-BENZOYL)AMINO]ETHYL]PHENYL]PROPANOIC ACIDHB-093M25WHQ3TKCCHEMBL597112SCHEMBL11481071
Database identifiers
- CAS
61629-60-5- PubChem CID
- 43709
- DTXSID
DTXSID00210642- ChEMBL
CHEMBL597112- UNII
- M25WHQ3TKC
- Nikkaji
- J77.821D
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 75.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 437
Physicochemical properties
- FDA UNII
- 25 WHQ3TKC · M25WHQ3TKC
Related reactions
2 records
Compound notes
Loading…