chempirical

2-[2-(4-Fluorophenyl)-2-oxo-1-phenylethyl]-4-methyl-3-oxopentanoic acid phenylamide

C26H24FNO3CAS 125971-96-2417.48 g/mol

Open in Covalent MOL file
OOHNOF
Aryl halideKetone

Properties

Molecular formula
C26H24FNO3
Molar mass
417.48 g/mol
Exact mass
417.1740 Da
Melting point
206–209 °C
logP
5.92Crippen estimate
Polar surface area
66.7 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
8

Identifiers

CAS number
125971-96-2
SMILES
CC(C)C(=O)C(C(O)=Nc1ccccc1)C(C(=O)c1ccc(F)cc1)c1ccccc1
InChIKey
SNPBHOICIJUUFB-UHFFFAOYSA-N
InChI
InChI=1S/C26H24FNO3/c1-17(2)24(29)23(26(31)28-21-11-7-4-8-12-21)22(18-9-5-3-6-10-18)25(30)19-13-15-20(27)16-14-19/h3-17,22-23H,1-2H3,(H,28,31)

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Names and synonyms

3 names
  • Benzenebutanamide, 4-fluoro-α-(2-methyl-1-oxopropyl)-γ-oxo-N,β-diphenyl-
  • 4-Fluoro-α-(2-methyl-1-oxopropyl)-γ-oxo-N,β-diphenylbenzenebutanamide
  • 2-[2-(4-Fluorophenyl)-2-oxo-1-phenylethyl]-4-methyl-3-oxo-N-phenylpentanamide

Work with 2-[2-(4-Fluorophenyl)-2-oxo-1-phenylethyl]-4-methyl-3-oxopentanoic acid phenylamide

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Chloro-1-(4-fluorophenyl)-1-propanone81112-09-640 % similar Isobutyrophenone611-70-137 % similar 4-Fluorobenzophenone345-83-536 % similar Cyclopropyl(4-fluorophenyl)methanone772-31-635 % similar 3-Methyl-2-phenylbutanoic acid3508-94-933 % similar 2-(4-Fluorobenzoyl)benzoic acid7649-92-533 % similar 4-Methyl-3-oxo-N-phenyl-2-(phenylmethylene)pentanamide125971-57-532 % similar 2-Fluoro-1-phenyl-1-propanone21120-36-532 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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