N-[(1S,2R)-3-{[1-(3-bromophenyl)cyclopropyl]amino}-1-(3,5-difluorobenzyl)-2-hydroxypropyl]acetamide

HCID 10097075
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(c2cccc(Br)c2)CC1
InChIKey
RIJYVRIBKFVEQI-VQTJNVASSA-N
Molecular formula
C21H23BrF2N2O2
Average molar mass
453.3 g/mol
Monoisotopic mass
452.0911

Names & identifiers

Preferred name
N-[(1S,2R)-3-{[1-(3-bromophenyl)cyclopropyl]amino}-1-(3,5-difluorobenzyl)-2-hydroxypropyl]acetamide
IUPAC
N-[(2S,3R)-4-[[1-(3-bromophenyl)cyclopropyl]amino]-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]acetamide

Names & synonyms

SCHEMBL3168249RIJYVRIBKFVEQI-VQTJNVASSA-NN-[(1S,2R)-3-{[1-(3-bromophenyl)cyclopropyl]amino}-1-(3,5-difluorobenzyl)-2-hydroxypropyl]acetamide

Database identifiers

PubChem CID
10097075

Properties

Computed structural properties

XLogP
3.8
Topological polar surface area
61.4 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
5
Rotatable bonds
8
Heavy atoms
28

Related reactions

2 records
New reaction record

Compound notes

Loading…

N-[(1S,2R)-3-{[1-(3-bromophenyl)cyclopropyl]amino}-1-(3,5-difluorobenzyl)-2-hydroxypropyl]acetamide (HCID 10097075)｜Huagongshe