4-cyano-N-(3-methoxyphenyl)benzamide
Basic information
- CAS
478069-94-2- Standard SMILES
COc1cccc(NC(=O)c2ccc(C#N)cc2)c1- InChIKey
JFVSDXVTRMGHKB-UHFFFAOYSA-N- Molecular formula
- C15H12N2O2
- Average molar mass
- 252.27 g/mol
- Monoisotopic mass
- 252.08987763
Names & identifiers
- Preferred name
- 4-cyano-N-(3-methoxyphenyl)benzamide
- IUPAC
- 4-cyano-N-(3-methoxyphenyl)benzamide
- English name
- Benzamide, 4-cyano-N-(3-methoxyphenyl)- (9CI)
- Molecular formula
- C15H12N2O2
- Molecular weight
- 252.26798
Names & synonyms
4-cyano-N-(3-methoxyphenyl)benzamide478069-94-2BENZAMIDE, 4-CYANO-N-(3-METHOXYPHENYL)-CHEMBL1213770DTXSID90406693AKOS000192012DB-284993Z27795394Benzamide, 4-cyano-N-(3-methoxyphenyl)Benzamide, 4-cyano-N-(3-methoxyphenyl)- (9CI)
Database identifiers
- CAS
478069-94-2- PubChem CID
- 4879682
- DTXSID
DTXSID90406693- ChEMBL
CHEMBL1213770
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 62.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 352
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Compound notes
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