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Basic information
- Standard SMILES
C[C@H](NC(=O)c1cc(Cl)ccc1COc1ccccc1Cl)c1ccc(C(=O)O)cc1- InChIKey
HGDAPQIZHQIIPZ-AWEZNQCLSA-N- Molecular formula
- C23H19Cl2NO4
- Average molar mass
- 444.3 g/mol
- Monoisotopic mass
- 443.0691135
Names & identifiers
- Preferred name
- 4-[(1S)-1-({5-Chloro-2-[(2-chlorophenoxy)methyl]benzoyl}amino)ethyl]benzoic acid
- IUPAC
- 4-[(1S)-1-[[5-chloro-2-[(2-chlorophenoxy)methyl]benzoyl]amino]ethyl]benzoic acid
Names & synonyms
SCHEMBL691852HGDAPQIZHQIIPZ-AWEZNQCLSA-N4-[(1S)-1-({5-Chloro-2-[(2-chlorophenoxy)methyl]-benzoyl}amino)ethyl]benzoic acid4-[(1S)-1-({5-Chloro-2-[(2-chlorophenoxy)methyl]benzoyl}amino)ethyl]benzoic acid
Database identifiers
- PubChem CID
- 11640825
Properties
Computed structural propertiesFilling in
- XLogP
- 5.3
- Topological polar surface area
- 75.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 582
Related reactions
2 records
Compound notes
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