structure of 2-chloro-N-[4-(dimethylamino)benzyl]-N-(tetrahydrofuran-2-ylmethyl)acetamide

2-chloro-N-[4-(dimethylamino)benzyl]-N-(tetrahydrofuran-2-ylmethyl)acetamide

CAS No.: 1000930-28-8
M. Wt: 310.82
M. Fa: C16H23ClN2O2
InChI Key: LJBLKENLIXLKSY-UHFFFAOYSA-N

Names and Identifiers of 1000930-28-8

CAS Number

1000930-28-8

MDL Number

MFCD09702167

IUPAC Name

2-chloro-N-[[4-(dimethylamino)phenyl]methyl]-N-(oxolan-2-ylmethyl)acetamide

InChI

InChI=1S/C16H23ClN2O2/c1-18(2)14-7-5-13(6-8-14)11-19(16(20)10-17)12-15-4-3-9-21-15/h5-8,15H,3-4,9-12H2,1-2H3

InChIKey

LJBLKENLIXLKSY-UHFFFAOYSA-N

Canonical SMILES

CN(C)C1=CC=C(C=C1)CN(CC2CCCO2)C(=O)CCl

UNSPSC Code

12352100

Physical and chemical properties of 1000930-28-8

Acidity coefficient

4.80±0.12(Predicted)

Boiling Point

469.6±35.0 °C(Predicted)

Density

1.173±0.06 g/cm3(Predicted)

H Bond Acceptors

3

H Bond Donors

0

LogP

2.20551361766667

Molecular Formula

C16H23ClN2O2

Molecular Weight

310.82

Safety Information of 1000930-28-8

Pictograms

Signal Word

 Warning

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

Applications of 1000930-28-8

The applications of 2-chloro-N-[4-(dimethylamino)benzyl]-N-(tetrahydrofuran-2-ylmethyl)acetamide span various fields, including:

  • Medicinal Chemistry: Due to its potential antimicrobial and anticancer properties, it may serve as a lead compound for drug development.
  • Organic Synthesis: Its unique structure allows it to act as a building block for synthesizing other complex organic molecules.
  • Research: It can be used in studies exploring enzyme inhibition and receptor interactions relevant to disease mechanisms.

Interaction Studies of 1000930-28-8

Interaction studies have revealed that 2-chloro-N-[4-(dimethylamino)benzyl]-N-(tetrahydrofuran-2-ylmethyl)acetamide may bind to specific proteins or enzymes involved in disease pathways. For instance, its binding affinity to certain receptors indicates potential as an inhibitor in therapeutic contexts. Further research is required to elucidate the full spectrum of its interactions and biological implications.

Biological Activity of 1000930-28-8

Preliminary studies indicate that 2-chloro-N-[4-(dimethylamino)benzyl]-N-(tetrahydrofuran-2-ylmethyl)acetamide exhibits promising biological activities, particularly antimicrobial and anticancer properties. The mechanism of action is believed to involve modulation of enzyme activity or receptor interactions, potentially inhibiting cell proliferation or inducing apoptosis in cancer cells. Its structural features may enhance its binding affinity to specific proteins or enzymes relevant to disease pathways, suggesting therapeutic potential.