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

HCID 86645952
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Basic information

Standard SMILES
COC(=O)c1ccc(Nc2ccc(C(C)C(O)(c3ccnc(Cl)c3)C(F)(F)F)c(Cl)c2)cc1
InChIKey
SRMYPJUHSDKOLS-UHFFFAOYSA-N
Molecular formula
C23H19Cl2F3N2O3
Average molar mass
499.3 g/mol
Monoisotopic mass
498.0724823

Names & identifiers

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

Names & synonyms

4-{3-Chloro-4-[2-(2-chloro-pyridin-4-yl)-3,3,3-trifluoro-2-hydroxy-1-methyl-propyl]-phenylamino}-benzoic acid methyl esterSCHEMBL480111

Database identifiers

PubChem CID
86645952

Properties

Computed structural properties

XLogP
6.2
Topological polar surface area
71.5 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
8
Rotatable bonds
7
Heavy atoms
33

Related reactions

2 records
New reaction record

Compound notes

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