chempirical

Benzonal

C19H16N2O4CAS 744-80-9336.35 g/mol

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ONOONHO
AmideLactam

Properties

Molecular formula
C19H16N2O4
Molar mass
336.35 g/mol
Exact mass
336.1110 Da
Melting point
134–135 °C
logP
3.09Crippen estimate
Polar surface area
87.0 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
3

Identifiers

CAS number
744-80-9
SMILES
CCC1(c2ccccc2)C(=O)N(C(=O)c2ccccc2)C(=O)N=C1O
InChIKey
QMOWPJIFTHVQMB-UHFFFAOYSA-N
InChI
InChI=1S/C19H16N2O4/c1-2-19(14-11-7-4-8-12-14)16(23)20-18(25)21(17(19)24)15(22)13-9-5-3-6-10-13/h3-12H,2H2,1H3,(H,20,23,25)

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Names and synonyms

8 names
  • 2,4,6(1H,3H,5H)-Pyrimidinetrione, 1-benzoyl-5-ethyl-5-phenyl-
  • Barbituric acid, 1-benzoyl-5-ethyl-5-phenyl-
  • 1-Benzoyl-5-ethyl-5-phenyl-2,4,6(1H,3H,5H)-pyrimidinetrione
  • 1-Benzoyl-5-phenyl-5-ethylbarbituric acid
  • 1-Benzoyl-5-ethyl-5-phenylbarbituric acid
  • Benzobarbital
  • Benzoylluminal
  • 1-Benzoyl-5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione

Work with Benzonal

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

Phenobarbital50-06-658 % similar Primidone125-33-746 % similar (±)-Mephenytoin50-12-440 % similar Phenylethylmalonamide7206-76-039 % similar Nirvanol631-07-238 % similar 2-Ethyl-2-phenylbutyric acid5465-28-137 % similar 1,3-Diethyl 2-ethyl-2-phenylpropanedioate76-67-537 % similar N,N-Diethylbenzamide1696-17-936 % similar

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

Elsewhere

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