structure of 2-Chloro-N-(4-isopropoxyphenyl)acetamide

2-Chloro-N-(4-isopropoxyphenyl)acetamide

CAS No.: 100129-54-2
M. Wt: 227.68700
M. Fa: C11H14ClNO2
InChI Key: HVOJEGURDPDERX-UHFFFAOYSA-N

Names and Identifiers of 100129-54-2

CAS Number

100129-54-2

MDL Number

MFCD02959561

IUPAC Name

2-chloro-N-(4-propan-2-yloxyphenyl)acetamide

InChI

InChI=1S/C11H14ClNO2/c1-8(2)15-10-5-3-9(4-6-10)13-11(14)7-12/h3-6,8H,7H2,1-2H3,(H,13,14)

InChIKey

HVOJEGURDPDERX-UHFFFAOYSA-N

Canonical SMILES

CC(C)OC1=CC=C(C=C1)NC(=O)CCl

UNSPSC Code

12352100

Physical and chemical properties of 100129-54-2

Boiling Point

389.474ºC at 760 mmHg

Density

1.19g/cm3

Exact Mass

227.07100

Flash Point

189.347ºC

Index of Refraction

1.554

LogP

2.72410

Molecular Formula

C11H14ClNO2

Molecular Weight

227.68700

PSA

38.33000

Vapour Pressure

0mmHg at 25°C

Safety Information of 100129-54-2

Pictograms

Signal Word

Warning

Safety Data Sheet

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

Applications of 100129-54-2

2-Chloro-N-(4-isopropoxyphenyl)acetamide finds applications across various fields:

  • Chemistry: Serves as a building block in organic synthesis.
  • Biology: Investigated for its potential biological activities.
  • Medicine: Explored for therapeutic properties.
  • Industry: Utilized in pharmaceutical production and other chemical products.

Interaction Studies of 100129-54-2

The interaction studies of 2-Chloro-N-(4-isopropoxyphenyl)acetamide focus on its binding affinity to specific enzymes and receptors. These interactions may lead to alterations in metabolic pathways or cellular signaling processes, although comprehensive studies are required to fully elucidate its biological effects and therapeutic potential.

Similar Compounds

When comparing 2-Chloro-N-(4-isopropoxyphenyl)acetamide with similar compounds, several notable examples include:

Compound NameMolecular FormulaKey Features
2-Chloro-N-(4-chlorophenyl)acetamideC8H7Cl2NOC_8H_7Cl_2NOContains a chlorophenyl group
2-Chloro-N-(4-isopropylphenyl)acetamideC11H14ClNOC_{11}H_{14}ClNOFeatures an isopropyl group
N-(4-isopropoxyphenyl)acetamideC11H15NO2C_{11}H_{15}NO_2Lacks chlorine substituent

Retrosynthesis analysis of 100129-54-2

  • Route#1

    Cas:7146-61-4
    Cas:100129-54-2
  • Route#2

    Cas:7664-66-6
    Cas:79-04-9
    Cas:100129-54-2
  • Route#3

    Cas:103-90-2
    Cas:100129-54-2

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