N-(2-fluoro-5-nitrophenyl)-3-(4-fluorophenyl)prop-2-enamide
Basic information
- CAS
496029-59-5- Standard SMILES
O=C(C=Cc1ccc(F)cc1)Nc1cc([N+](=O)[O-])ccc1F- InChIKey
DLRUZQAOTGOMTH-UHFFFAOYSA-N- Molecular formula
- C15H10F2N2O3
- Average molar mass
- 304.25 g/mol
- Monoisotopic mass
- 304.06594851
Names & identifiers
- Preferred name
- N-(2-fluoro-5-nitrophenyl)-3-(4-fluorophenyl)prop-2-enamide
- IUPAC
- N-(2-fluoro-5-nitrophenyl)-3-(4-fluorophenyl)prop-2-enamide
- English name
- (2E)-N-(2-fluoro-5-nitrophenyl)-3-(4-fluorophenyl)prop-2-enamide
- Molecular formula
- C15H10F2N2O3
- Molecular weight
- 304.25
Names & synonyms
AKOS017080710N-(2-fluoro-5-nitrophenyl)-3-(4-fluorophenyl)acrylamide2-Propenamide, N-(2-fluoro-5-nitrophenyl)-3-(4-fluorophenyl)-(2E)-N-(2-fluoro-5-nitrophenyl)-3-(4-fluorophenyl)prop-2-enamide
Database identifiers
- CAS
496029-59-5- PubChem CID
- 712871
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 74.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 431
Physicochemical properties
- Boiling point
- 483.6 · 483.6±45.0 °C(Predicted)
- Density
- 1.437 · 1.437±0.06 g/cm3(Predicted)
- pka
- 11.72 · 11.72±0.70(Predicted)
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Compound notes
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