N-(3-Acetylphenyl)acetamide

C10H11NO2CAS 7463-31-2177.20 g/mol

Open in Covalent MOL file
ONHO
Ketone

Properties

Molecular formula
C10H11NO2
Molar mass
177.20 g/mol
Exact mass
177.0790 Da
Melting point
127–128 °C
logP
2.50Crippen estimate
Polar surface area
49.7 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number
7463-31-2
SMILES
CC(=O)c1cccc(N=C(C)O)c1
InChIKey
AFZTYHRVDOKRKV-UHFFFAOYSA-N
InChI
InChI=1S/C10H11NO2/c1-7(12)9-4-3-5-10(6-9)11-8(2)13/h3-6H,1-2H3,(H,11,13)

Weigh it out

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Names and synonyms

11 names
  • Acetamide, N-(3-acetylphenyl)-
  • Acetanilide, 3′-acetyl-
  • 3′-Acetamidoacetophenone
  • 3′-(Acetylamino)acetophenone
  • 1-[3-(Acetylamino)phenyl]ethanone
  • 3′-Acetylacetanilide
  • m-Acetamidoacetophenone
  • 3-Acetamidoacetophenone
  • NSC 404340
  • 3-Acetylacetanilide
  • 3'-Acetamidoacetophenone

Work with N-(3-Acetylphenyl)acetamide

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

3-Acetamidobenzoic acid587-48-471 % similar N-(4-Acetylphenyl)acetamide2719-21-365 % similar 3-Acetylphenyl isocyanate23138-64-959 % similar 1,3-Diacetylbenzene6781-42-658 % similar 3-Acetylphenylisothiocyanate3125-71-156 % similar N-(3-Fluorophenyl)acetamide351-28-056 % similar N-(3-Methylphenyl)acetamide537-92-856 % similar 3-Acetylbenzoic acid586-42-556 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Acetoacetanilide102-01-2 (R)-4-Benzyl-2-oxazolidinone102029-44-7 (3R)-1,2,3,4-Tetrahydroisoquinoline-3-carboxylic acid103733-65-9 3,5-Dimethoxyphenylacetonitrile13388-75-5 1,3-Dihydro-4-(2-hydroxyethyl)-2H-indol-2-one139122-19-3 5,6-Dimethoxyindole14430-23-0 (4S,5R)-(-)-4-Methyl-5-phenyl-2-oxazolidinone16251-45-9 2,5-Dimethoxyphenylacetonitrile18086-24-3

Elsewhere

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