Basic information
- CAS
398-32-3- Standard SMILES
CC(=O)Nc1ccc(-c2ccc(F)cc2)cc1- InChIKey
JORMZLCKCZMVJM-UHFFFAOYSA-N- Molecular formula
- C14H12FNO
- Average molar mass
- 229.25 g/mol
- Monoisotopic mass
- 229.09029217
Overview
4'-(4-fluorophenyl)acetanilide is a biphenyl that is 1,1'-biphenyl substituted by a fluoro group at position 4 and a acetylamino group at position 4'. It induces neoplastic lesions in rats. It has a role as a carcinogenic agent. It is a N-acetylarylamine, a secondary carboxamide, a member of biphenyls and a member of monofluorobenzenes.
Names & identifiers
- Preferred name
- N-(4'-fluoro(1,1'-biphenyl)-4-yl)acetamide
- IUPAC
- N-[4-(4-fluorophenyl)phenyl]acetamide
- English name
- 4'-(4-Fluorophenyl)acetanilide
- Molecular formula
- C14H12FNO
- Molecular weight
- 229.25
Names & synonyms
398-32-3N-(4'-Fluoro-4-biphenylyl)acetamide4'-Fluoro-4-biphenylacetamideN-4-(4'-Fluoro)biphenylacetamide4'-Fluoro-4-acetylaminobiphenylACETANILIDE, 4'-(p-FLUOROPHENYL)-S59S53MB7A4-acetylamino-4'-fluorobiphenylAcetamide, N-(4'-fluoro(1,1'-biphenyl)-4-yl)-N-(4'-Fluoro(1,1'-biphenyl)-4-yl)acetamideNSC-73090N-(4'-fluoro[1,1'-biphenyl]-4-yl)acetamide
Show more names
4’-(p-fluorophenyl)acetanilide4’-(p-fluorophenyl)-acetanilid4’-fluoro-4-acetylaminobiphenyln-4-(4’-fluoro)biphenylacetamide4'-(4-Fluorophenyl)acetanilide,98%n-(4’-fluoro-4-biphenylyl)acetamide
RefChem:95979206-912-74'-(p-Fluorophenyl)acetanilide4'-(4-fluorophenyl)acetanilideN-[4-(4-fluorophenyl)phenyl]acetamideN-4-(4'-Fluorobiphenyl)acetamideAcetamide, N-(4'-fluoro-4-biphenylyl)-N-(4'-fluorobiphenyl-4-yl)acetamide
Database identifiers
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
- 253
Physicochemical properties
- Melting point
- 205 · 205-207 °C
- Boiling point
- 416.1 · 416.1±28.0 °C(Predicted)
- Density
- 1.1828 · 1.1828 (estimate)
- pka
- 14.88 · 14.88±0.70(Predicted)
- FDA UNII
- 59 S53MB7A · S59S53MB7A
- Safety Statements
- 24 · 24/25
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- safety_code
- 24/25
Chemistry & industry
Suppliers1 total
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
Additional notes
DefinitionChEBI: 4'-(4-fluorophenyl)acetanilide is a biphenyl that is 1,1'-biphenyl substituted by a fluoro group at position 4 and a acetylamino group at position 4'. It induces neoplastic lesions in rats. It has a role as a carcinogenic agent. It is a member of biphenyls, a member of monofluorobenzenes, a N-acetylarylamine and a secondary carboxamide.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…