N-(4-chloro-2-methoxy-5-methylphenyl)-2-cyano-3-[4-(N-phenylanilino)phenyl]prop-2-enamide
Basic information
- CAS
6591-75-9- Standard SMILES
COc1cc(Cl)c(C)cc1NC(=O)C(C#N)=Cc1ccc(N(c2ccccc2)c2ccccc2)cc1- InChIKey
BIRRZFCJDCASJP-UHFFFAOYSA-N- Molecular formula
- C30H24ClN3O2
- Average molar mass
- 494 g/mol
- Monoisotopic mass
- 493.1557047
Names & identifiers
- Preferred name
- N-(4-chloro-2-methoxy-5-methylphenyl)-2-cyano-3-[4-(N-phenylanilino)phenyl]prop-2-enamide
- IUPAC
- N-(4-chloro-2-methoxy-5-methylphenyl)-2-cyano-3-[4-(N-phenylanilino)phenyl]prop-2-enamide
Names & synonyms
6591-75-9DTXSID80411615N-(4-Chloro-2-methoxy-5-methylphenyl)-2-cyano-3-[4-(diphenylamino)phenyl]prop-2-enamideAKOS034344816
Database identifiers
- CAS
6591-75-9- PubChem CID
- 5228433
- DTXSID
DTXSID80411615
Properties
Computed structural properties
- XLogP
- 7.9
- Topological polar surface area
- 65.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 769
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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