N-(4-cyano-2-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide

HCID 72319331
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
N#Cc1ccc(NC(=O)N2CCc3ccccc3C2c2ccc(C(F)(F)F)cc2)c(F)c1
InChIKey
FXJRJAQFXICSBE-UHFFFAOYSA-N
Molecular formula
C24H17F4N3O
Average molar mass
439.4 g/mol
Monoisotopic mass
439.13077482

Names & identifiers

Preferred name
N-(4-cyano-2-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
IUPAC
N-(4-cyano-2-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide

Database identifiers

PubChem CID
72319331

Properties

Computed structural properties

XLogP
5
Topological polar surface area
56.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
2
Heavy atoms
32

Related reactions

1 records
New reaction record

Compound notes

Loading…