structure of N-(4-chlorophenyl)-3-methylbenzamide

N-(4-chlorophenyl)-3-methylbenzamide

CAS No.: 81636-14-8
M. Wt: 245.70400
M. Fa: C14H12ClNO
InChI Key: DDOSHRIGQWXMMY-UHFFFAOYSA-N

Names and Identifiers of N-(4-chlorophenyl)-3-methylbenzamide

CAS Number

81636-14-8

EC Number

666-936-2

MDL Number

MFCD00088528

IUPAC Name

N-(4-chlorophenyl)-3-methylbenzamide

InChI

InChI=1S/C14H12ClNO/c1-10-3-2-4-11(9-10)14(17)16-13-7-5-12(15)6-8-13/h2-9H,1H3,(H,16,17)

InChIKey

DDOSHRIGQWXMMY-UHFFFAOYSA-N

Canonical SMILES

CC1=CC(=CC=C1)C(=O)NC2=CC=C(C=C2)Cl

UNSPSC Code

12352100

Physical and chemical properties of N-(4-chlorophenyl)-3-methylbenzamide

Exact Mass

245.06100

H Bond Acceptors

1

H Bond Donors

1

LogP

3.97370

Molecular Formula

C14H12ClNO

Molecular Weight

245.70400

PSA

29.10000

Safety Information of N-(4-chlorophenyl)-3-methylbenzamide

Pictograms

Signal Word

Safety Data Sheet

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

Applications of N-(4-chlorophenyl)-3-methylbenzamide

N-(4-chlorophenyl)-3-methylbenzamide has potential applications in pharmaceuticals, particularly as a precursor for synthesizing various biologically active compounds. Its unique structure makes it suitable for designing new drugs targeting specific biological pathways, especially in pain management and inflammation control. Additionally, it may serve as an intermediate in organic synthesis for creating more complex molecules.

Interaction Studies of N-(4-chlorophenyl)-3-methylbenzamide

Studies have indicated that N-(4-chlorophenyl)-3-methylbenzamide interacts with several biological targets, including enzymes involved in metabolic pathways. Its inhibitory effects on specific enzymes have been documented, suggesting potential therapeutic uses in treating diseases linked to these targets. Further computational studies have provided insights into its binding affinities and mechanisms of action at the molecular level.

Biological Activity of N-(4-chlorophenyl)-3-methylbenzamide

This compound exhibits notable biological activities, particularly in pharmacology. It has been studied for its potential as an enzyme inhibitor and its interactions with various biological targets. The chlorophenyl group contributes to its lipophilicity, enhancing its ability to penetrate biological membranes and interact with cellular targets. Research indicates that it may exhibit anti-inflammatory and analgesic properties, making it a candidate for further pharmacological exploration.

Retrosynthesis analysis of N-(4-chlorophenyl)-3-methylbenzamide

  • Route#1

    Cas:106-47-8
    Cas:1711-06-4
    Cas:81636-14-8
  • Route#2

    Cas:104-12-1
    Cas:499-06-9
    Cas:81636-14-8