3-[(4-Chloro-2-nitrophenoxy)methyl]-4-[4-(dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl]benzonitrile

HCID 11612980
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
CN(C)CCCC(O)(c1ccc(F)cc1)c1ccc(C#N)cc1COc1ccc(Cl)cc1[N+](=O)[O-]
InChIKey
OQFXMXXFALRLDG-UHFFFAOYSA-N
Molecular formula
C26H25ClFN3O4
Average molar mass
497.9 g/mol
Monoisotopic mass
497.1517621

Names & identifiers

Preferred name
3-[(4-Chloro-2-nitrophenoxy)methyl]-4-[4-(dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl]benzonitrile
IUPAC
3-[(4-chloro-2-nitrophenoxy)methyl]-4-[4-(dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl]benzonitrile

Names & synonyms

SCHEMBL2007544

Database identifiers

PubChem CID
11612980

Properties

Computed structural properties

XLogP
5
Topological polar surface area
102 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
9
Heavy atoms
35

Related reactions

1 records
New reaction record

Compound notes

Loading…