Basic information
- CAS
61592-76-5- Standard SMILES
O=C(C=Cc1cccc(Cl)c1)Nc1cccc(C(F)(F)F)c1- InChIKey
SWGCIIZXBIEFMX-UHFFFAOYSA-N- Molecular formula
- C16H11ClF3NO
- Average molar mass
- 325.71 g/mol
- Monoisotopic mass
- 325.0481262
Names & identifiers
- Preferred name
- 2-Propenamide, 3-(3-chlorophenyl)-N-[3-(trifluoromethyl)phenyl]-
- IUPAC
- 3-(3-chlorophenyl)-N-[3-(trifluoromethyl)phenyl]prop-2-enamide
- English name
- 3-(3-chlorophenyl)-N-[3-(trifluoromethyl)phenyl]acrylamide
- Molecular formula
- C16H11ClF3NO
- Molecular weight
- 325.71
Names & synonyms
61592-76-53-(3-chlorophenyl)-N-[3-(trifluoromethyl)phenyl]prop-2-enamide2-Propenamide, 3-(3-chlorophenyl)-N-[3-(trifluoromethyl)phenyl]-SCHEMBL11804107DTXSID603571283-(3-chlorophenyl)-N-[3-(trifluoromethyl)phenyl]acrylamide
Database identifiers
- CAS
61592-76-5- PubChem CID
- 844729
- DTXSID
DTXSID60357128
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 411
Physicochemical properties
- Boiling point
- 458.29 · 458.290±45.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.375 · 1.375±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 13.262 · 13.262±0.70(predicted)
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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