4-Chloro-3-oxo-N-(p-tolyl)butyramide
Basic information
- CAS
61610-54-6- Standard SMILES
Cc1ccc(NC(=O)CC(=O)CCl)cc1- InChIKey
NSNSCJAIRFVCBB-UHFFFAOYSA-N- Molecular formula
- C11H12ClNO2
- Average molar mass
- 225.67 g/mol
- Monoisotopic mass
- 225.0556563
Names & identifiers
- Preferred name
- 4-Chloro-3-oxo-N-(p-tolyl)butyramide
- IUPAC
- 4-chloro-N-(4-methylphenyl)-3-oxobutanamide
- English name
- 4-chloro-3-oxo-N-(p-tolyl)butyramide
- Molecular formula
- C11H12ClNO2
- Molecular weight
- 225.67
Names & synonyms
4-Chloro-3-oxo-N-(p-tolyl)butyramide61610-54-6EINECS 262-869-44-chloro-N-(4-methylphenyl)-3-oxobutanamideSCHEMBL6408760DTXSID70210634NSNSCJAIRFVCBB-UHFFFAOYSA-NDB-305720NS00034745Butanamide, 4-chloro-N-(4-methylphenyl)-3-oxo-
Database identifiers
- CAS
61610-54-6- PubChem CID
- 3017269
- DTXSID
DTXSID70210634- EC Number
- 262-869-4
- Nikkaji
- J279.676G
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 46.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 235
Physicochemical properties
- Melting point
- 149 · 149-151 °C(Solv: water (7732-18-5); ethyl ether (60-29-7))
- Boiling point
- 413.5 · 413.5±30.0 °C(Predicted)
- Density
- 1.251 · 1.251±0.06 g/cm3(Predicted)
- pka
- 10.19 · 10.19±0.46(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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