1H-Indole-3-acetic acid, 1-(p-chlorobenzoyl)-5-methoxy-2-methyl-, (alpha,alpha,alpha-trifluoro-m-tolyl) ester

HCID 49828

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Basic information

CAS: 67369-98-6
Standard SMILES: COc1ccc2c(c1)c(CC(=O)Oc1cccc(C(F)(F)F)c1)c(C)n2C(=O)c1ccc(Cl)cc1
InChIKey: KPIGFIICBCBCLE-UHFFFAOYSA-N
Molecular formula: C26H19ClF3NO4
Average molar mass: 501.9 g/mol
Monoisotopic mass: 501.0954703

Names & identifiers

Preferred name: 1H-Indole-3-acetic acid, 1-(p-chlorobenzoyl)-5-methoxy-2-methyl-, (alpha,alpha,alpha-trifluoro-m-tolyl) ester
IUPAC: [3-(trifluoromethyl)phenyl] 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate

Names & synonyms

67369-98-61H-Indole-3-acetic acid, 1-(p-chlorobenzoyl)-5-methoxy-2-methyl-, (alpha,alpha,alpha-trifluoro-m-tolyl) esterDTXSID50217722m-Trifluoromethylphenyl-1-(p-chlorobenzoyl)-5-methoxy-2-methyl-1H-indole-3-acetateRefChem:239025DTXCID00140213IF-1SCHEMBL293584113-(Trifluoromethyl)phenyl [1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetate

Database identifiers

CAS: 67369-98-6
PubChem CID: 49828
DTXSID: DTXSID50217722

Properties

Computed structural properties

XLogP: 7
Topological polar surface area: 57.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 7
Rotatable bonds: 6
Heavy atoms: 35
Formal charge: 0
Complexity: 757

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