N-benzyl-2-(2-chlorophenoxy)-N-methylacetamide

C16H16ClNO2 — CID 707247

IUPACN-benzyl-2-(2-chlorophenoxy)-N-methylacetamide
SMILESCN(Cc1ccccc1)C(=O)COc1ccccc1Cl
InChIInChI=1S/C16H16ClNO2/c1-18(11-13-7-3-2-4-8-13)16(19)12-20-15-10-6-5-9-14(15)17/h2-10H,11-12H2,1H3
InChIKeyHMZNNUFKNWPALX-UHFFFAOYSA-N
MW289.76 g/mol
LogP3.38
Rot. Bonds5

About N-benzyl-2-(2-chlorophenoxy)-N-methylacetamide

N-benzyl-2-(2-chlorophenoxy)-N-methylacetamide (PubChem CID 707247) has the molecular formula C16H16ClNO2 and a molecular weight of 289.76 g/mol. Its IUPAC name is N-benzyl-2-(2-chlorophenoxy)-N-methylacetamide.

Molecular Properties

Compound NameN-benzyl-2-(2-chlorophenoxy)-N-methylacetamide
PubChem CID707247
Molecular FormulaC16H16ClNO2
Molecular Weight289.76 g/mol
Exact Mass289.09
IUPAC NameN-benzyl-2-(2-chlorophenoxy)-N-methylacetamide
SMILESCN(Cc1ccccc1)C(=O)COc1ccccc1Cl
InChIInChI=1S/C16H16ClNO2/c1-18(11-13-7-3-2-4-8-13)16(19)12-20-15-10-6-5-9-14(15)17/h2-10H,11-12H2,1H3
InChIKeyHMZNNUFKNWPALX-UHFFFAOYSA-N
XLogP3.38
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.76
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-benzyl-2-(2-chlorophenoxy)-N-methylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(2-chlorophenoxy)-N-methylacetamide?
The IUPAC name of N-benzyl-2-(2-chlorophenoxy)-N-methylacetamide (CID 707247) is N-benzyl-2-(2-chlorophenoxy)-N-methylacetamide.
What is the SMILES notation for N-benzyl-2-(2-chlorophenoxy)-N-methylacetamide?
The canonical SMILES for N-benzyl-2-(2-chlorophenoxy)-N-methylacetamide is CN(Cc1ccccc1)C(=O)COc1ccccc1Cl.
What is the InChIKey of N-benzyl-2-(2-chlorophenoxy)-N-methylacetamide?
The InChIKey is HMZNNUFKNWPALX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO2/c1-18(11-13-7-3-2-4-8-13)16(19)12-20-15-10-6-5-9-14(15)17/h2-10H,11-12H2,1H3.
What are the key properties of N-benzyl-2-(2-chlorophenoxy)-N-methylacetamide?
N-benzyl-2-(2-chlorophenoxy)-N-methylacetamide has a molecular weight of 289.76 g/mol, XLogP of 3.38, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(2-chlorophenoxy)-N-methylacetamide is sourced from PubChem (CID 707247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).