Basic information
- CAS
60531-37-5- Standard SMILES
COc1ccc(Cl)cc1C(=O)NCCc1ccc(C(C)=O)cc1- InChIKey
QACIPNCRDPCEES-UHFFFAOYSA-N- Molecular formula
- C18H18ClNO3
- Average molar mass
- 331.8 g/mol
- Monoisotopic mass
- 331.0975211
Names & identifiers
- Preferred name
- N-[2-(4-acetylphenyl)ethyl]-5-chloro-2-methoxybenzamide
- IUPAC
- N-[2-(4-acetylphenyl)ethyl]-5-chloro-2-methoxybenzamide
Names & synonyms
60531-37-5N-[2-(4-acetylphenyl)ethyl]-5-chloro-2-methoxybenzamideCHEMBL167886SCHEMBL11360335DTXSID10634299
Database identifiers
- CAS
60531-37-5- PubChem CID
- 23453033
- DTXSID
DTXSID10634299- ChEMBL
CHEMBL167886
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 407
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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