Basic information
- Standard SMILES
N#Cc1cc(-c2cc(Cl)c(CC3CCN(C4CCCCC4)C3=O)c(Cl)c2)ccc1F- InChIKey
JCCGELYNVQLIDQ-UHFFFAOYSA-N- Molecular formula
- C24H23Cl2FN2O
- Average molar mass
- 445.4 g/mol
Names & identifiers
- Preferred name
- 3',5'-Dichloro-4'-(1-cyclohexyl-2-oxo-pyrrolidin-3-ylmethyl)-4-fluoro-biphenyl-3-carbonitrile
- IUPAC
- 5-[3,5-dichloro-4-[(1-cyclohexyl-2-oxopyrrolidin-3-yl)methyl]phenyl]-2-fluorobenzonitrile
Names & synonyms
SCHEMBL2998439JCCGELYNVQLIDQ-UHFFFAOYSA-N3',5'-Dichloro-4'-(1-cyclohexyl-2-oxo-pyrrolidin-3-ylmethyl)-4-fluoro-biphenyl-3-carbonitrile
Database identifiers
- PubChem CID
- 59299528
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 44.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 649
Related reactions
2 records
Compound notes
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