3-(7'-nitro-1', 2'-dihydro-2'-oxospiro-[cyclohexane-1,3'-[3H]indol]-5'-yl)-5-fluorobenzonitrile

HCID 22019324

Basic information

Standard SMILES
N#Cc1cc(F)cc(-c2cc([N+](=O)[O-])c3c(c2)C2(CCCCC2)C(=O)N3)c1
InChIKey
RIARMHNOEDMKAH-UHFFFAOYSA-N
Molecular formula
C20H16FN3O3
Average molar mass
365.4 g/mol

Names & identifiers

Preferred name
3-(7'-nitro-1', 2'-dihydro-2'-oxospiro-[cyclohexane-1,3'-[3H]indol]-5'-yl)-5-fluorobenzonitrile
IUPAC
3-fluoro-5-(7-nitro-2-oxospiro[1H-indole-3,1'-cyclohexane]-5-yl)benzonitrile

Names & synonyms

SCHEMBL3518449RIARMHNOEDMKAH-UHFFFAOYSA-N3-(7'-nitro-1', 2'-dihydro-2'-oxospiro-[cyclohexane-1,3'-[3H]indol]-5'-yl)-5-fluorobenzonitrile3-(7'-nitro-1',2'-dihydro-2'-oxospiro-[cyclohexane-1,3'-[3H]indol]-5'-yl)-5-fluorobenzonitrile

Database identifiers

PubChem CID
22019324

Properties

Computed structural properties

XLogP
4
Topological polar surface area
98.7 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
1
Heavy atoms
27

Related reactions

9 records

Compound notes

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