chempirical

β-Oxo-N-phenylbenzenepropanamide

C15H13NO2CAS 959-66-0239.27 g/mol

Open in Covalent MOL file
OOHN
Ketone

Properties

Molecular formula
C15H13NO2
Molar mass
239.27 g/mol
Exact mass
239.0946 Da
Melting point
108–110 °C
logP
3.55Crippen estimate
Polar surface area
49.7 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
4

Hazards

Warning
Irritant (GHS07)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
959-66-0
SMILES
O=C(CC(O)=Nc1ccccc1)c1ccccc1
InChIKey
XRZDIHADHZSFBB-UHFFFAOYSA-N
InChI
InChI=1S/C15H13NO2/c17-14(12-7-3-1-4-8-12)11-15(18)16-13-9-5-2-6-10-13/h1-10H,11H2,(H,16,18)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

8 names
  • Benzenepropanamide, β-oxo-N-phenyl-
  • Acetanilide, 2-benzoyl-
  • 2-Benzoylacetanilide
  • N-Phenylbenzoylacetamide
  • NSC 210265
  • 3-Oxo-N,3-diphenylpropanamide
  • Benzoylacetanilide
  • 3-Oxo-3-phenylpropionanilide

Reactions

Work with β-Oxo-N-phenylbenzenepropanamide

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

Dibenzoylmethane120-46-761 % similar Benzoylacetic acid614-20-059 % similar Acetoacetanilide102-01-259 % similar Chloroacetanilide587-65-552 % similar 1,4-Diphenyl-1,4-butanedione495-71-650 % similar α-Hydroxyacetophenone582-24-150 % similar Benzoylacetone93-91-450 % similar 1-(2-Hydroxyphenyl)-3-phenyl-1,3-propanedione1469-94-949 % similar

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

Same formula

4-(2,3-Epoxypropoxy)carbazole51997-51-4 9,9-Dimethyl-2-nitro-9H-fluorene605644-46-0 9-Fluorenylmethyl carbamate84418-43-9 2'-Benzoylacetanilide85-99-4

Elsewhere

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