CAS 477320-48-2

1-(1,3-Benzodioxol-5-yl)-3-[(4-fluorophenyl)amino]-1-propanone

Description:

1-(1,3-Benzodioxol-5-yl)-3-[(4-fluorophenyl)amino]-1-propanone, with the CAS number 477320-48-2, is a synthetic organic compound characterized by its complex molecular structure, which includes a benzodioxole moiety and an amine group. This compound typically exhibits properties associated with both aromatic and aliphatic systems, contributing to its potential biological activity. It is often studied for its pharmacological properties, particularly in the context of medicinal chemistry, where modifications to its structure can influence its efficacy and selectivity as a drug candidate. The presence of the fluorophenyl group may enhance lipophilicity and metabolic stability, while the benzodioxole ring can provide additional interactions with biological targets. As with many synthetic compounds, its solubility, stability, and reactivity can vary based on environmental conditions and the presence of other chemical species. Safety and handling precautions are essential when working with this compound, as it may possess toxicological properties that require careful assessment in laboratory settings.

Formula: C₁₆H₁₄FNO₃

InChI: InChI=1S/C16H14FNO3/c17-12-2-4-13(5-3-12)18-8-7-14(19)11-1-6-15-16(9-11)21-10-20-15/h1-6,9,18H,7-8,10H2

InChI key: InChIKey=LMFTWEOATGQZSI-UHFFFAOYSA-N

SMILES: C(CCNC1=CC=C(F)C=C1)(=O)C=2C=C3C(=CC2)OCO3

Synonyms:

• 1-(1,3-Benzodioxol-5-yl)-3-[(4-fluorophenyl)amino]-1-propanone
• 1-Propanone, 1-(1,3-benzodioxol-5-yl)-3-[(4-fluorophenyl)amino]-