N1-((1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-((2R,4R)-4-propoxypyrrolidin-2-yl)propan-2-yl)-N3-(1-(4-fluorophenyl)ethyl)isophthalamide

HCID 11848639
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
CCCO[C@H]1CN[C@@H]([C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)c2cccc(C(=O)NC(C)c3ccc(F)cc3)c2)C1
InChIKey
JTGPXVGLADNIKE-GMCKWARDSA-N
Molecular formula
C32H36F3N3O4
Average molar mass
583.6 g/mol

Names & identifiers

Preferred name
N1-((1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-((2R,4R)-4-propoxypyrrolidin-2-yl)propan-2-yl)-N3-(1-(4-fluorophenyl)ethyl)isophthalamide
IUPAC
3-N-[(1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(2R,4R)-4-propoxypyrrolidin-2-yl]propan-2-yl]-1-N-[1-(4-fluorophenyl)ethyl]benzene-1,3-dicarboxamide

Names & synonyms

SCHEMBL2205616JTGPXVGLADNIKE-GMCKWARDSA-NN1-((1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-((2R,4R)-4-propoxypyrrolidin-2-yl)propan-2-yl)-N3-(1-(4-fluorophenyl)ethyl)isophthalamide

Database identifiers

PubChem CID
11848639

Properties

Computed structural properties

XLogP
4.7
Topological polar surface area
99.7 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
8
Rotatable bonds
12
Heavy atoms
42

Related reactions

3 records
New reaction record

Compound notes

Loading…