N-(8-Amino-6-fluoro-5-methyl-1-oxo-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide

C₁₃H₁₅FN₂O₂CAS 182182-31-6250.27 g/mol

Open in Covalent MOL file

Amide Aryl halide Ketone Primary amine

Properties

Molecular formula: C₁₃H₁₅FN₂O₂
Molar mass: 250.27 g/mol
Exact mass: 250.1118 Da
logP: 1.35Crippen estimate
Polar surface area: 72.2 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 1

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

182182-31-6

SMILES

CC1=C(C=C(C2=C1CCC(C2=O)NC(=O)C)N)F

InChIKey

SEFPQWAVZCZXTK-UHFFFAOYSA-N

InChI

InChI=1S/C13H15FN2O2/c1-6-8-3-4-11(16-7(2)17)13(18)12(8)10(15)5-9(6)14/h5,11H,3-4,15H2,1-2H3,(H,16,17)

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Work with N-(8-Amino-6-fluoro-5-methyl-1-oxo-1,2,3,4-tetrahydronaphthalen-2-yl)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

N-Acetyl-3-(2,6-difluorophenyl)-D-alanine266360-56-937 % similar 4,5-Difluoro-2-methylaniline875664-57-630 % similar

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

Elsewhere

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