chempirical

(2E)-N-(4-Fluorophenyl)-2-(hydroxyimino)acetamide

C8H7FN2O2CAS 351-09-7182.15 g/mol

Open in Covalent MOL file
NHONHOF
AmideAryl halideOxime

Properties

Molecular formula
C8H7FN2O2
Molar mass
182.15 g/mol
Exact mass
182.0492 Da
logP
1.22Crippen estimate
Polar surface area
61.7 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
2
Double bonds
EE/Z, in SMILES order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
351-09-7
SMILES
C1=CC(=CC=C1NC(=O)/C=N/O)F
InChIKey
DXSBFTGUEOWLSD-BJMVGYQFSA-N
InChI
InChI=1S/C8H7FN2O2/c9-6-1-3-7(4-2-6)11-8(12)5-10-13/h1-5,13H,(H,11,12)/b10-5+

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Names and synonyms

1 names
  • 4-Fluoroisonitrosoacetanilide

Work with (2E)-N-(4-Fluorophenyl)-2-(hydroxyimino)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

4-[(4-Fluorophenyl)amino]-4-oxo-2-butenoic acid60252-79-156 % similar 2-Chloro-N-(4-fluorophenyl)acetamide351-04-243 % similar [C(Z)]-4-Fluorobenzaldehyde oxime588-95-442 % similar 1-(4-Fluorophenylcarbamoyl)cyclopropanecarboxylic acid849217-48-740 % similar 4-(4-Fluorophenyl)thiosemicarbazide330-94-939 % similar N-(4-Fluorophenyl)thiourea459-05-238 % similar Carbonic anhydrase ix/xii inhibitor ii(U-104)178606-66-138 % similar Isonitrosoacetophenone532-54-735 % similar

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

Elsewhere

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