Basic information
- Standard SMILES
CCCc1ccc(NC(=O)c2cc(NC(=O)c3ccc(C#N)cc3)ccc2C)cc1- InChIKey
OLOMTRRCXZJSNT-UHFFFAOYSA-N- Molecular formula
- C25H23N3O2
- Average molar mass
- 397.5 g/mol
- Monoisotopic mass
- 397.17902698
Names & identifiers
- Preferred name
- N-(4-propylphenyl)-5-(4-cyanobenzamido)-2-methylbenzamide
- IUPAC
- 5-[(4-cyanobenzoyl)amino]-2-methyl-N-(4-propylphenyl)benzamide
Names & synonyms
SCHEMBL6250888OLOMTRRCXZJSNT-UHFFFAOYSA-NN-(4-propylphenyl)-5-(4-cyanobenzamido)-2-methylbenzamide
Database identifiers
- PubChem CID
- 9800950
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 82 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 624
Related reactions
3 records
Compound notes
Loading…