N-Cyclopropyl-4-fluoro-3-(4-oxobutyl)benzamide
Basic information
- CAS
639858-65-4- Standard SMILES
O=CCCCc1cc(C(=O)NC2CC2)ccc1F- InChIKey
KCWHYXJCQGDYBB-UHFFFAOYSA-N- Molecular formula
- C14H16FNO2
- Average molar mass
- 249.28 g/mol
- Monoisotopic mass
- 249.11650692
Names & identifiers
- Preferred name
- N-Cyclopropyl-4-fluoro-3-(4-oxobutyl)benzamide
- IUPAC
- N-cyclopropyl-4-fluoro-3-(4-oxobutyl)benzamide
- English name
- Benzamide, N-cyclopropyl-4-fluoro-3-(4-oxobutyl)- (9CI)
- Molecular formula
- C14H16FNO2
- Molecular weight
- 249.28
Names & synonyms
N-Cyclopropyl-4-fluoro-3-(4-oxobutyl)benzamide639858-65-4SCHEMBL2868316DTXSID50621582Benzamide, N-cyclopropyl-4-fluoro-3-(4-oxobutyl)-Benzamide, N-cyclopropyl-4-fluoro-3-(4-oxobutyl)- (9CI)
Database identifiers
- CAS
639858-65-4- PubChem CID
- 22019072
- DTXSID
DTXSID50621582
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 46.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 304
Physicochemical properties
- Boiling point
- 396.1 · 396.1±42.0 °C(Predicted)
- Density
- 1.19 · 1.19±0.1 g/cm3(Predicted)
- pka
- 14.57 · 14.57±0.20(Predicted)
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Compound notes
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