N-[2-({[(6S,7R)-7-(4-chloro-3-fluorophenyl)-1,4-oxazepan-6-yl]methyl}amino)-2-oxoethyl]benzamide monohydrochloride

HCID 66975533
Substructure searchFind similar structures

Basic information

Standard SMILES
Cl.O=C(CNC(=O)c1ccccc1)NC[C@@H]1CNCCO[C@H]1c1ccc(Cl)c(F)c1
InChIKey
CJLAQYPDZQGSAG-XXRBRTKDSA-N
Molecular formula
C21H24Cl2FN3O3
Average molar mass
456.3 g/mol

Names & identifiers

Preferred name
N-[2-({[(6S,7R)-7-(4-chloro-3-fluorophenyl)-1,4-oxazepan-6-yl]methyl}amino)-2-oxoethyl]benzamide monohydrochloride
IUPAC
N-[2-[[(6S,7R)-7-(4-chloro-3-fluorophenyl)-1,4-oxazepan-6-yl]methylamino]-2-oxoethyl]benzamide;hydrochloride

Names & synonyms

SCHEMBL1280293CJLAQYPDZQGSAG-XXRBRTKDSA-NN-[2-({[(6S,7R)-7-(4-chloro-3-fluorophenyl)-1,4-oxazepan-6-yl]methyl}amino)-2-oxoethyl]benzamide monohydrochloride

Database identifiers

PubChem CID
66975533

Properties

Computed structural properties

Topological polar surface area
79.5 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
5
Rotatable bonds
6
Heavy atoms
30

Related reactions

1 records
New reaction record

Linked notes

Loading…