Basic information
- CAS
71919-02-3- Standard SMILES
COc1ccc(NC(=O)CC(=O)CCl)cc1- InChIKey
NPAAOGDGLLMPHM-UHFFFAOYSA-N- Molecular formula
- C11H12ClNO3
- Average molar mass
- 241.67 g/mol
- Monoisotopic mass
- 241.0505709
Names & identifiers
- Preferred name
- Butanamide, 4-chloro-N-(4-methoxyphenyl)-3-oxo-
- IUPAC
- 4-chloro-N-(4-methoxyphenyl)-3-oxobutanamide
Names & synonyms
4-chloro-N-(4-methoxyphenyl)-3-oxobutanamide71919-02-3Butanamide, 4-chloro-N-(4-methoxyphenyl)-3-oxo-SCHEMBL6411466DTXSID40274889
Database identifiers
- CAS
71919-02-3- PubChem CID
- 29970
- DTXSID
DTXSID40274889
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 250
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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