Basic information
- CAS
701238-17-7- Standard SMILES
Cc1ccc(C)c(C(=O)Nc2ccc(C#N)cc2)c1- InChIKey
QDHWDRODYZEMJN-UHFFFAOYSA-N- Molecular formula
- C16H14N2O
- Average molar mass
- 250.29 g/mol
- Monoisotopic mass
- 250.11061307
Names & identifiers
- Preferred name
- N-(4-cyanophenyl)-2,5-dimethylbenzamide
- IUPAC
- N-(4-cyanophenyl)-2,5-dimethylbenzamide
- English name
- Benzamide, N-(4-cyanophenyl)-2,5-dimethyl- (9CI)
- Molecular formula
- C16H14N2O
- Molecular weight
- 250.29516
Names & synonyms
N-(4-cyanophenyl)-2,5-dimethylbenzamide701238-17-7Benzamide,N-(4-cyanophenyl)-2,5-dimethyl-DTXSID60358938STL199067AKOS000192501SR-01000273938SR-01000273938-1Benzamide, N-(4-cyanophenyl)-2,5-dimethyl- (9CI)
Database identifiers
- CAS
701238-17-7- PubChem CID
- 925449
- DTXSID
DTXSID60358938
Properties
Computed structural properties
- XLogP
- 3.2
- 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
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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