Basic information
- CAS
333442-37-8- Standard SMILES
Cc1ccc(C(=O)Nc2ccc(C#N)cc2)cc1C- InChIKey
OWUBTOSNGYFMIZ-UHFFFAOYSA-N- Molecular formula
- C16H14N2O
- Average molar mass
- 250.29 g/mol
- Monoisotopic mass
- 250.11061307
Names & identifiers
- Preferred name
- N-(4-cyanophenyl)-3,4-dimethylbenzamide
- IUPAC
- N-(4-cyanophenyl)-3,4-dimethylbenzamide
- English name
- Benzamide, N-(4-cyanophenyl)-3,4-dimethyl- (9CI)
- Molecular formula
- C16H14N2O
- Molecular weight
- 250.3
Names & synonyms
N-(4-cyanophenyl)-3,4-dimethylbenzamide333442-37-8Oprea1_189874DTXSID00355385STK044113AKOS000200147ST50721338AG-690/15437338(3,4-dimethylphenyl)-N-(4-cyanophenyl)carboxamideBenzamide, N-(4-cyanophenyl)-3,4-dimethyl-Benzamide, N-(4-cyanophenyl)-3,4-dimethyl- (9CI)
Database identifiers
- CAS
333442-37-8- PubChem CID
- 798685
- DTXSID
DTXSID00355385
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 52.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 362
Physicochemical properties
- Boiling point
- 372.5 · 372.5±42.0 °C(Predicted)
- Density
- 1.17 · 1.17±0.1 g/cm3(Predicted)
- pka
- 13 · 13.00±0.70(Predicted)
Chemistry & industry
Suppliers2 total
CHEMSTEP[email protected]
VITAS-BB—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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