4-({3-Chloro-4-[-2-(2-chloro-pyridin-4-yl)-3,3,3-trifluoro-2-hydroxy-1-methyl-propyl]-benzoyl}-methyl-amino)-benzoic acid methyl ester

HCID 46941003
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Basic information

Standard SMILES
COC(=O)c1ccc(N(C)C(=O)c2ccc(C(C)C(O)(c3ccnc(Cl)c3)C(F)(F)F)c(Cl)c2)cc1
InChIKey
LJPADDNUBZWELH-UHFFFAOYSA-N
Molecular formula
C25H21Cl2F3N2O4
Average molar mass
541.3 g/mol

Names & identifiers

Preferred name
4-({3-Chloro-4-[-2-(2-chloro-pyridin-4-yl)-3,3,3-trifluoro-2-hydroxy-1-methyl-propyl]-benzoyl}-methyl-amino)-benzoic acid methyl ester
IUPAC
methyl 4-[[3-chloro-4-[3-(2-chloro-4-pyridinyl)-4,4,4-trifluoro-3-hydroxybutan-2-yl]benzoyl]-methylamino]benzoate

Names & synonyms

4-({3-Chloro-4-[-2-(2-chloro-pyridin-4-yl)-3,3,3-trifluoro-2-hydroxy-1-methyl-propyl]-benzoyl}-methyl-amino)-benzoic acid methyl esterSCHEMBL479992

Database identifiers

PubChem CID
46941003

Properties

Computed structural properties

XLogP
5.7
Topological polar surface area
79.7 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
8
Rotatable bonds
7
Heavy atoms
36

Related reactions

2 records
New reaction record

Linked notes

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