Basic information
- CAS
852909-15-0- Standard SMILES
N#Cc1ccc(C(=O)N(Cc2ccccc2)c2ccccc2)cc1- InChIKey
QEEOCPSBEZMGPP-UHFFFAOYSA-N- Molecular formula
- C21H16N2O
- Average molar mass
- 312.4 g/mol
- Monoisotopic mass
- 312.12626314
Names & identifiers
- Preferred name
- N-benzyl-4-cyano-N-phenylbenzamide
- IUPAC
- N-benzyl-4-cyano-N-phenylbenzamide
Names & synonyms
N-benzyl-4-cyano-N-phenylbenzamideMLS001173170CHEMBL1583557DTXSID101327531HMS2913F14AKOS033969987852909-15-0SMR000589877Z26619764
Database identifiers
- CAS
852909-15-0- PubChem CID
- 4787638
- DTXSID
DTXSID101327531- ChEMBL
CHEMBL1583557
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 44.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 446
Experimental & physicochemical properties
Solubility26.4 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…