CAS 1131614-34-0

3-Iodo-4-[(2-methyl-1-oxopropyl)amino]benzoic acid

Description:

3-Iodo-4-[(2-methyl-1-oxopropyl)amino]benzoic acid is a chemical compound characterized by its unique structure, which includes an iodo substituent on the benzene ring and an amino group linked to a propanoyl moiety. This compound is likely to exhibit properties typical of benzoic acids, such as being a weak acid due to the carboxylic acid functional group. The presence of the iodine atom may impart specific reactivity, such as increased electrophilicity, and can influence the compound's solubility and stability. The 2-methyl-1-oxopropyl group contributes to the overall hydrophobic character of the molecule, potentially affecting its interactions in biological systems. Additionally, the compound may have applications in medicinal chemistry, particularly in the development of pharmaceuticals, due to the presence of both the amino and carboxylic acid functionalities, which can facilitate interactions with biological targets. Overall, the characteristics of this compound suggest it may have interesting chemical behavior and potential utility in various chemical and biological applications.

Formula: C₁₁H₁₂INO₃

InChI: InChI=1S/C11H12INO3/c1-6(2)10(14)13-9-4-3-7(11(15)16)5-8(9)12/h3-6H,1-2H3,(H,13,14)(H,15,16)

InChI key: InChIKey=KUPOHPBPZLWBSJ-UHFFFAOYSA-N

SMILES: N(C(C(C)C)=O)C1=C(I)C=C(C(O)=O)C=C1

Synonyms:

• 3-Iodo-4-[(2-methyl-1-oxopropyl)amino]benzoic acid
• Benzoic acid, 3-iodo-4-[(2-methyl-1-oxopropyl)amino]-

3-Iodo-4-isobutyramidobenzoic acid

CAS: 1131614-34-0

Formula: C₁₁H₁₂INO₃

Molecular weight: 333.1224

Ref: IN-DA00HCM4