2-(2,6-dichlorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylacetamide

C13H17Cl2NO2 — CID 113476141

IUPAC2-(2,6-dichlorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylacetamide
SMILESCN(C(=O)Cc1c(Cl)cccc1Cl)C(C)(C)CO
InChIInChI=1S/C13H17Cl2NO2/c1-13(2,8-17)16(3)12(18)7-9-10(14)5-4-6-11(9)15/h4-6,17H,7-8H2,1-3H3
InChIKeyMXJRDPJFRQOMKS-UHFFFAOYSA-N
MW290.19 g/mol
LogP2.77
Rot. Bonds4

About 2-(2,6-dichlorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylacetamide

2-(2,6-dichlorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylacetamide (PubChem CID 113476141) has the molecular formula C13H17Cl2NO2 and a molecular weight of 290.19 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylacetamide.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylacetamide
PubChem CID113476141
Molecular FormulaC13H17Cl2NO2
Molecular Weight290.19 g/mol
Exact Mass289.06
IUPAC Name2-(2,6-dichlorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylacetamide
SMILESCN(C(=O)Cc1c(Cl)cccc1Cl)C(C)(C)CO
InChIInChI=1S/C13H17Cl2NO2/c1-13(2,8-17)16(3)12(18)7-9-10(14)5-4-6-11(9)15/h4-6,17H,7-8H2,1-3H3
InChIKeyMXJRDPJFRQOMKS-UHFFFAOYSA-N
XLogP2.77
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.19
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2,6-dichlorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)-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 2-(2,6-dichlorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylacetamide?
The IUPAC name of 2-(2,6-dichlorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylacetamide (CID 113476141) is 2-(2,6-dichlorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylacetamide.
What is the SMILES notation for 2-(2,6-dichlorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylacetamide?
The canonical SMILES for 2-(2,6-dichlorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylacetamide is CN(C(=O)Cc1c(Cl)cccc1Cl)C(C)(C)CO.
What is the InChIKey of 2-(2,6-dichlorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylacetamide?
The InChIKey is MXJRDPJFRQOMKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2NO2/c1-13(2,8-17)16(3)12(18)7-9-10(14)5-4-6-11(9)15/h4-6,17H,7-8H2,1-3H3.
What are the key properties of 2-(2,6-dichlorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylacetamide?
2-(2,6-dichlorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylacetamide has a molecular weight of 290.19 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylacetamide is sourced from PubChem (CID 113476141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).