chempirical

Phthalimidopropiophenone

C17H13NO3CAS 19437-20-8279.30 g/mol

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AmideKetoneLactam

Properties

Molecular formula
C17H13NO3
Molar mass
279.30 g/mol
Exact mass
279.0895 Da
Melting point
87–88 °C
logP
2.55Crippen estimate
Polar surface area
54.5 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
3

Identifiers

CAS number
19437-20-8
SMILES
CC(C(=O)c1ccccc1)N1C(=O)c2ccccc2C1=O
InChIKey
CKLKGWHINGNHOK-UHFFFAOYSA-N
InChI
InChI=1S/C17H13NO3/c1-11(15(19)12-7-3-2-4-8-12)18-16(20)13-9-5-6-10-14(13)17(18)21/h2-11H,1H3

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Names and synonyms

7 names
  • 1H-Isoindole-1,3(2H)-dione, 2-(1-methyl-2-oxo-2-phenylethyl)-
  • Phthalimide, N-(α-methylphenacyl)-
  • 2-(1-Methyl-2-oxo-2-phenylethyl)-1H-isoindole-1,3(2H)-dione
  • 2-Phthalimidopropiophenone
  • 2-(1-Oxo-1-phenylpropan-2-yl)isoindole-1,3-dione
  • 2-(1-Oxo-1-phenylpropan-2-yl)isoindoline-1,3-dione
  • 2-(1-Oxo-1-phenylpropan-2-yl)-2,3-dihydro-1H-isoindole-1,3-dione

Work with Phthalimidopropiophenone

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

1,3-Dihydro-α-methyl-1,3-dioxo-2H-isoindole-2-acetic acid21860-84-459 % similar N-Isopropylphthalimide304-17-656 % similar Isobutyrophenone611-70-150 % similar 2-Benzoyl-1H-indene-1,3(2H)-dione1785-95-149 % similar α-Bromopropiophenone2114-00-347 % similar 2,2-Diethoxyacetophenone6175-45-746 % similar N,N-Bis(1-methylethyl)benzamide20383-28-246 % similar 2-Fluoro-1-phenyl-1-propanone21120-36-546 % similar

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

Elsewhere

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