structure of N-(6-iodobenzo[d][1,3]dioxol-5-yl)acetamide

N-(6-iodobenzo[d][1,3]dioxol-5-yl)acetamide

CAS No.: 1000802-33-4
M. Wt: 305.06900
M. Fa: C9H8INO3
InChI Key: KZPRZJSLLKQTSW-UHFFFAOYSA-N

Names and Identifiers of 1000802-33-4

CAS Number

1000802-33-4

EC Number

689-791-7

MDL Number

MFCD26399737

IUPAC Name

N-(6-iodo-1,3-benzodioxol-5-yl)acetamide

InChI

InChI=1S/C9H8INO3/c1-5(12)11-7-3-9-8(2-6(7)10)13-4-14-9/h2-3H,4H2,1H3,(H,11,12)

InChIKey

KZPRZJSLLKQTSW-UHFFFAOYSA-N

Canonical SMILES

CC(=O)NC1=CC2=C(C=C1I)OCO2

UNSPSC Code

12352100

Physical and chemical properties of 1000802-33-4

Exact Mass

304.95500

LogP

2.05130

Molecular Formula

C9H8INO3

Molecular Weight

305.06900

PSA

47.56000

Safety Information of 1000802-33-4

Pictograms

Signal Word

Warning

Safety Data Sheet

Supports customized editing of SDS information and downloading in PDF documents.

Applications of 1000802-33-4

N-(6-iodobenzo[d][1,3]dioxol-5-yl)acetamide finds applications primarily in medicinal chemistry due to its potential biological activities. It could serve as a lead compound for developing new drugs targeting various diseases, particularly those involving oxidative stress or bacterial infections. Additionally, its unique structural properties make it suitable for research in chemical biology and pharmacology.

Interaction Studies of 1000802-33-4

Interaction studies involving N-(6-iodobenzo[d][1,3]dioxol-5-yl)acetamide focus on its binding affinity with biological targets such as enzymes and receptors. For example:

  • Urease Inhibition: Studies have shown that this compound can inhibit urease activity effectively by binding to its active site.
  • Antioxidant Mechanisms: Investigations into its antioxidant properties reveal that it may scavenge free radicals or modulate oxidative stress pathways.

Biological Activity of 1000802-33-4

N-(6-iodobenzo[d][1,3]dioxol-5-yl)acetamide has been evaluated for various biological activities. Studies suggest that compounds similar to this one exhibit significant antioxidant, antibacterial, and urease inhibition activities. The molecular structure aids in binding to specific biological targets, enhancing its potential therapeutic effects. For instance, molecular docking studies indicate that such compounds can effectively interact with urease enzymes through hydrogen bonding, which is crucial for their inhibitory action.

Retrosynthesis analysis of 1000802-33-4

  • Route#1

    Cas:14268-66-7
    Cas:1000802-33-4
  • Route#2

    Cas:13067-19-1
    Cas:1000802-33-4