2-(Acetyloxy)benzamide

C9H9NO3CAS 5663-71-8179.17 g/mol

Open in Covalent MOL file
OOONH2
AmideEster

Properties

Molecular formula
C9H9NO3
Molar mass
179.17 g/mol
Exact mass
179.0582 Da
logP
0.71Crippen estimate
Polar surface area
69.4 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

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

Precautionary statements

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, P501

Identifiers

CAS number
5663-71-8
SMILES
CC(=O)OC1=CC=CC=C1C(=O)N
InChIKey
KGHXFBVYXDFJGG-UHFFFAOYSA-N
InChI
InChI=1S/C9H9NO3/c1-6(11)13-8-5-3-2-4-7(8)9(10)12/h2-5H,1H3,(H2,10,12)

Weigh it out

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Names and synonyms

11 names
  • (2-Carbamoylphenyl) acetate
  • 2-(Aminocarbonyl)phenyl acetate
  • 2-Carbamoylphenyl acetate
  • Acetylsalicylamide
  • o-Acetylsalicylamide
  • Influina
  • O-Acetyl salicylamide
  • Benzamide, 2-(acetyloxy)-
  • Salicylamide, O-acetyl-
  • Salicylamide, acetate (ester)
  • 2-Carbamoylphenylacetate

Work with 2-(Acetyloxy)benzamide

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

Aspirin50-78-261 % similar Acetylsalicyloyl chloride5538-51-261 % similar Methyl 2-acetoxybenzoate580-02-959 % similar Carbasalate calcium5749-67-756 % similar Guacetisal55482-89-855 % similar 2-Methoxyphenyl acetate15212-03-054 % similar 2-Methylphenyl acetate533-18-654 % similar 2-(Trifluoromethoxy)benzamide127979-74-254 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

N-1,3-Benzodioxol-5-ylacetamide13067-19-1 Methyl 2-acetylpyridine-4-carboxylate138715-82-9 (4-(Hydroxyimino)methyl)-2-methylbenzoic acid1437051-93-8 3-(4-Nitrophenyl)-2-propen-1-ol1504-63-8 3′-Nitropropiophenone17408-16-1 3a,4,7,7a-Tetrahydro-2-hydroxy-4,7-methano-1H-isoindole-1,3(2H)-dione21715-90-2 1-(6-Amino-1,3-benzodioxol-5-yl)ethanone28657-75-2 1-Methoxy-3-(2-nitrovinyl)benzene3179-09-7

Elsewhere

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