chempirical

Benorylate

C17H15NO5CAS 5003-48-5313.31 g/mol

Open in Covalent MOL file
OOOOHNO
Ester

Properties

Molecular formula
C17H15NO5
Molar mass
313.31 g/mol
Exact mass
313.0950 Da
Melting point
175 °C
logP
3.44Crippen estimate
Polar surface area
85.2 Ų
H-bond donors / acceptors
1 / 5
Rotatable bonds
4

Identifiers

CAS number
5003-48-5
SMILES
CC(=O)Oc1ccccc1C(=O)Oc1ccc(N=C(C)O)cc1
InChIKey
FEJKLNWAOXSSNR-UHFFFAOYSA-N
InChI
InChI=1S/C17H15NO5/c1-11(19)18-13-7-9-14(10-8-13)23-17(21)15-5-3-4-6-16(15)22-12(2)20/h3-10H,1-2H3,(H,18,19)

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Names and synonyms

17 names · show all
  • Benzoic acid, 2-(acetyloxy)-, 4-(acetylamino)phenyl ester
  • Salicylic acid acetate, ester with 4′-hydroxyacetanilide
  • Acetanilide, 4′-hydroxy-, salicylate (ester) acetate (ester)
  • p-Acetamidophenyl acetylsalicylate
  • 4-Acetamidophenyl 2-acetoxybenzoate
  • 4-Acetaminophenyl 2-acetoxybenzoate
  • Aspirin acetaminophen ester
  • Fenasprate
  • Benoral
  • Acetylsalicylic acid paracetamol ester
  • p-N-Acetylaminophenyl acetylsalicylate
  • Benorilate
  • Win 11450
  • TO 125
  • Benortan
  • Quinexin
  • Salipran

Work with Benorylate

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

P-Acetoxyacetanilide2623-33-867 % similar Acetylsalicylsalicylic acid530-75-660 % similar Methyl 2-acetoxybenzoate580-02-954 % similar Guacetisal55482-89-854 % similar Aspirin50-78-252 % similar 3-(Acetyloxy)-N-phenyl-2-naphthalenecarboxamide1163-67-346 % similar Acetylsalicyloyl chloride5538-51-246 % similar Methyl 4-acetamido-2-methoxybenzoate4093-29-244 % similar

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

Elsewhere

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