Basic information
- CAS
71993-17-4- Standard SMILES
N#Cc1ccccc1NC(=O)Cc1ccccc1- InChIKey
JJPHVTNXDLOCHU-UHFFFAOYSA-N- Molecular formula
- C15H12N2O
- Average molar mass
- 236.27 g/mol
- Monoisotopic mass
- 236.09496301
Names & identifiers
- Preferred name
- N-(2-cyanophenyl)-2-phenylacetamide
- IUPAC
- N-(2-cyanophenyl)-2-phenylacetamide
- English name
- Benzeneacetamide, N-(2-cyanophenyl)-
- Molecular formula
- C15H12N2O
- Molecular weight
- 236.27
Names & synonyms
N-(2-cyanophenyl)-2-phenylacetamide71993-17-4DTXSID60352592RefChem:360659DTXCID30303657benzeneacetamide, n-(2-cyanophenyl)-Oprea1_118058SCHEMBL29065703STK082054AKOS000182071ST039766AG-670/36127044
Database identifiers
- CAS
71993-17-4- PubChem CID
- 729976
- DTXSID
DTXSID60352592- Nikkaji
- J3.390.071F
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 52.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 325
Physicochemical properties
- Melting point
- 142 · 142-143 °C(Solv: benzene (71-43-2))
- Boiling point
- 490.5 · 490.5±38.0 °C(Predicted)
- Density
- 1.19 · 1.19±0.1 g/cm3(Predicted)
- pka
- 13.9 · 13.90±0.70(Predicted)
Chemistry & industry
Suppliers1 total
Alinda Chemical Ltd.+7 (495) 672-17-08 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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