4'-Cyanobenzanilide
Basic information
- CAS
10278-46-3- Standard SMILES
N#Cc1ccc(NC(=O)c2ccccc2)cc1- InChIKey
BXZUKYCXOQHJAM-UHFFFAOYSA-N- Molecular formula
- C14H10N2O
- Average molar mass
- 222.24 g/mol
- Monoisotopic mass
- 222.07931295
Names & identifiers
- Preferred name
- 4'-Cyanobenzanilide
- IUPAC
- N-(4-cyanophenyl)benzamide
- English name
- 4'-cyanobenzanilide
- Molecular formula
- C14H10N2O
- Molecular weight
- 222.24
Names & synonyms
N-(4-cyanophenyl)benzamide4'-Cyanobenzanilidebenzamide, n-(4-cyanophenyl)-HEJ7AD7TPXEINECS 233-623-3BENZANILIDE, 4'-CYANO-DTXSID80145504RefChem:95951DTXCID8067995233-623-310278-46-3Benzamide,N-(4-cyanophenyl)-
Show more names
4/'-CyanobenzanilideUNII-HEJ7AD7TPXCBMicro_005265Oprea1_657349Oprea1_794185N-(4-Cyano-phenyl)-benzamideSCHEMBL1344198BXZUKYCXOQHJAM-UHFFFAOYSA-N
Database identifiers
- CAS
10278-46-3- PubChem CID
- 82513
- DTXSID
DTXSID80145504- UNII
- HEJ7AD7TPX
- EC Number
- 233-623-3
- Nikkaji
- J236.739D
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 52.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 303
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Physicochemical properties
- Melting point
- 170 · 170-170.5 °C(Solv: ethanol (64-17-5))
- Boiling point
- 314.9 · 314.9±25.0 °C(Predicted)
- Density
- 1.22 · 1.22±0.1 g/cm3(Predicted)
- pka
- 12.49 · 12.49±0.70(Predicted)
- FDA UNII
- 7 AD7TPX · HEJ7AD7TPX
Chemistry & industry
Upstream & downstream products
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