3-fluoro-N-(4-methylphenyl)benzamide
Basic information
- CAS
398-80-1- Standard SMILES
Cc1ccc(NC(=O)c2cccc(F)c2)cc1- InChIKey
YGYASICDDPBVIN-UHFFFAOYSA-N- Molecular formula
- C14H12FNO
- Average molar mass
- 229.25 g/mol
- Monoisotopic mass
- 229.09029217
Names & identifiers
- Preferred name
- 3-fluoro-N-(4-methylphenyl)benzamide
- IUPAC
- 3-fluoro-N-(4-methylphenyl)benzamide
- English name
- Benzamide, 3-fluoro-N-(4-methylphenyl)-
- Molecular formula
- C14H12FNO
- Molecular weight
- 229.25
Names & synonyms
3-fluoro-N-(4-methylphenyl)benzamide398-80-1Benzamide, 3-fluoro-N-(4-methylphenyl)-SCHEMBL6748120SCHEMBL83615683-Fluoro-N-(p-tolyl)benzamideSCHEMBL31556825DTXSID80356850AKOS001081387ST50558917(3-fluorophenyl)-N-(4-methylphenyl)carboxamideAN-652/11384814
Show more names
Z28134844
Database identifiers
- CAS
398-80-1- PubChem CID
- 835429
- DTXSID
DTXSID80356850- Nikkaji
- J879.353K
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 261
Experimental & physicochemical properties
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Physicochemical properties
- Boiling point
- 275.8 · 275.8±33.0 °C(Predicted)
- Density
- 1.214 · 1.214±0.06 g/cm3(Predicted)
- pka
- 13.03 · 13.03±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…