2-cyano-3-[1-(4-cyclohexylphenyl)-2,5-dimethylpyrrol-3-yl]-N-(2-fluorophenyl)prop-2-enamide
Basic information
- CAS
5536-04-9- Standard SMILES
Cc1cc(C=C(C#N)C(=O)Nc2ccccc2F)c(C)n1-c1ccc(C2CCCCC2)cc1- InChIKey
QKPSPPUCHGFKSQ-UHFFFAOYSA-N- Molecular formula
- C28H28FN3O
- Average molar mass
- 441.5 g/mol
- Monoisotopic mass
- 441.22164069
Names & identifiers
- Preferred name
- 2-cyano-3-[1-(4-cyclohexylphenyl)-2,5-dimethylpyrrol-3-yl]-N-(2-fluorophenyl)prop-2-enamide
- IUPAC
- 2-cyano-3-[1-(4-cyclohexylphenyl)-2,5-dimethylpyrrol-3-yl]-N-(2-fluorophenyl)prop-2-enamide
Names & synonyms
5536-04-9AC1NQPXDDTXSID304114882-Cyano-3-[1-(4-cyclohexylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-N-(2-fluorophenyl)prop-2-enamide
Database identifiers
- CAS
5536-04-9- PubChem CID
- 5226791
- DTXSID
DTXSID30411488
Properties
Computed structural properties
- XLogP
- 7.5
- Topological polar surface area
- 57.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 743
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…