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N-(5-amino-2-chlorophenyl)-2-(N-(3,5-dichloro-4-hydroxyphenyl)-2,2,2-trifluoroacetamido)-4,4-dimethyl-3-oxopentanamide
SpectraBase Compound ID 2UFug4ReJ6t
InChI InChI=1S/C21H19Cl3F3N3O4/c1-20(2,3)17(32)15(18(33)29-14-6-9(28)4-5-11(14)22)30(19(34)21(25,26)27)10-7-12(23)16(31)13(24)8-10/h4-8,15,31H,28H2,1-3H3,(H,29,33)
InChIKey WQAAYEJLYPIDOB-UHFFFAOYSA-N
Mol Weight 540.75 g/mol
Molecular Formula C21H19Cl3F3N3O4
Exact Mass 539.039324 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5IADxIXqo26
Name N-(5-amino-2-chlorophenyl)-2-(N-(3,5-dichloro-4-hydroxyphenyl)-2,2,2-trifluoroacetamido)-4,4-dimethyl-3-oxopentanamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H19Cl3F3N3O4
InChI InChI=1S/C21H19Cl3F3N3O4/c1-20(2,3)17(32)15(18(33)29-14-6-9(28)4-5-11(14)22)30(19(34)21(25,26)27)10-7-12(23)16(31)13(24)8-10/h4-8,15,31H,28H2,1-3H3,(H,29,33)
InChIKey WQAAYEJLYPIDOB-UHFFFAOYSA-N
Molecular Weight 540.754 g/mol
SMILES Oc1c(cc(N(C(C(=O)Nc2cc(ccc2Cl)N)C(C(C)(C)C)=O)C(=O)C(F)(F)F)cc1Cl)Cl
SPLASH splash10-0a4l-9800240000-49b9a6bb265eeb8c40ff
Source of Spectrum JX-2015-4-1125
Synonyms N-(5-amino-2-chlorophenyl)-N2-(3,5-dichloro-4-hydroxyphenyl)-4-methyl-3-oxo-N2-(trifluoroacetyl)leucinamide N-(5-amino-2-chlorophenyl)-2-(3,5-dichloro-4-hydroxy-N-(2,2,2-trifluoro-1-oxoethyl)anilino)-4,4-dimethyl-3-oxopentanamide N-(5-amino-2-chlorophenyl)-2-(3,5-dichloro-4-hydroxy-N-(2,2,2-trifluoroacetyl)anilino)-4,4-dimethyl-3-oxopentanamide N-(5-amino-2-chloro-phenyl)-2-(3,5-dichloro-4-hydroxy-N-(2,2,2-trifluoroacetyl)anilino)-4,4-dimethyl-3-oxo-pentanamide N-(5-azanyl-2-chloranyl-phenyl)-2-[[3,5-bis(chloranyl)-4-oxidanyl-phenyl]-[2,2,2-tris(fluoranyl)ethanoyl]amino]-4,4-dimethyl-3-oxidanylidene-pentanamide
Wiley ID 1726522