Basic information
- Standard SMILES
N#Cc1cc(F)cc(-c2cc(Br)c3c(c2)C2(CCCCC2)C(=O)N3)c1- InChIKey
YEOYBFWPBYXECT-UHFFFAOYSA-N- Molecular formula
- C20H16BrFN2O
- Average molar mass
- 399.3 g/mol
- Monoisotopic mass
- 398.043
Names & identifiers
- Preferred name
- 3-(7'-Bromo-1',2'-dihydro-2'-oxospiro[cyclohexane-1,3'-[3h]indol]-5'-yl)-5-fluoro-benzonitrile
- IUPAC
- 3-(7-bromo-2-oxospiro[1H-indole-3,1'-cyclohexane]-5-yl)-5-fluorobenzonitrile
Names & synonyms
SCHEMBL3522002YEOYBFWPBYXECT-UHFFFAOYSA-N3-(7'-bromo-1',2'-dihydro-2'-oxospiro[cyclohexane-1,3'-[3h]indol]-5'-yl)-5-fluoro-benzonitrile3-(7'-bromo-1',2'-dihydro-2'-oxospiro[cyclohexane-1,3'-[3h]indol]-5'-yl)-5-fluorobenzonitrile
Database identifiers
- PubChem CID
- 22019385
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 52.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 581
Related reactions
6 records
Compound notes
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