(2E)-3-[5-[(1E)-3-(3-Fluorophenyl)-3-oxo-1-propen-1-yl]-1-methyl-1H-pyrrol-2-yl]-N-hydroxy-2-propenamide

C₁₇H₁₅FN₂O₃CAS 852475-26-4314.32 g/mol

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Alkene Aryl halide Ketone Oxime

Properties

Molecular formula: C₁₇H₁₅FN₂O₃
Molar mass: 314.32 g/mol
Exact mass: 314.1067 Da
Melting point: 212–215 °C
logP: 3.42Crippen estimate
Polar surface area: 74.8 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 5
Double bonds: E, EE/Z, in SMILES order

Identifiers

CAS number

852475-26-4

SMILES

Cn1c(/C=C/C(=O)c2cccc(F)c2)ccc1/C=C/C(O)=NO

InChIKey

QQDIFLSJMFDTCQ-FIFLTTCUSA-N

InChI

InChI=1S/C17H15FN2O3/c1-20-14(5-6-15(20)8-10-17(22)19-23)7-9-16(21)12-3-2-4-13(18)11-12/h2-11,23H,1H3,(H,19,22)/b9-7+,10-8+

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Names and synonyms

4 names

2-Propenamide, 3-[5-[(1E)-3-(3-fluorophenyl)-3-oxo-1-propen-1-yl]-1-methyl-1H-pyrrol-2-yl]-N-hydroxy-, (2E)-
MC 1568
(E)-3-(5-((E)-3-(3-Fluorophenyl)-3-oxoprop-1-en-1-yl)-1-methyl-1H-pyrrol-2-yl)-N-hydroxyacrylamide
MJK 001

Work with (2E)-3-[5-[(1E)-3-(3-Fluorophenyl)-3-oxo-1-propen-1-yl]-1-methyl-1H-pyrrol-2-yl]-N-hydroxy-2-propenamide

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′-Fluoroacetophenone455-36-738 % similar 3-Fluorobenzoic acid455-38-938 % similar (2E)-3-(3-Fluorophenyl)-2-propenoic acid20595-30-635 % similar 3-(3-Fluorophenyl)-2-propenoic acid458-46-835 % similar 3,3′-Difluorobenzophenone345-70-035 % similar N-Hydroxy-3-(3-phenylsulfamoylphenyl)acrylamide414864-00-933 % similar Methyl m-fluorobenzoate455-68-533 % similar m-Fluorobenzoic acid hydrazide499-55-833 % similar

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

Elsewhere

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