3-(7'-Bromo-1',2'-dihydro-2'-oxospiro[cyclohexane-1,3'-[3h]indol]-5'-yl)-5-fluoro-benzonitrile

HCID 22019385

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

Related reactions

6 records

Compound notes

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