Basic information
- Standard SMILES
N#Cc1ccc(-c2ccc3c(c2)C2(CCCCC2)C(=O)N3)cc1F- InChIKey
GMYAAMRZRUDIDR-UHFFFAOYSA-N- Molecular formula
- C20H17FN2O
- Average molar mass
- 320.4 g/mol
Names & identifiers
- Preferred name
- 5'-(4-Cyano-3-fluorophenyl)-spiro[cyclohexane-1,3'-[3H]indol]-2'(1'H)-one
- IUPAC
- 2-fluoro-4-(2-oxospiro[1H-indole-3,1'-cyclohexane]-5-yl)benzonitrile
Names & synonyms
SCHEMBL3519930GMYAAMRZRUDIDR-UHFFFAOYSA-N5'-(4-Cyano-3-fluorophenyl)-spiro[cyclohexane-1,3'-[3H]indol]-2'(1'H)-one
Database identifiers
- PubChem CID
- 22019346
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 52.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 547
Related reactions
6 records
Compound notes
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