2-(2,4-dichlorophenoxy)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylacetamide

C14H13Cl2F2N3O2 — CID 134050131

IUPAC2-(2,4-dichlorophenoxy)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylacetamide
SMILESCN(Cc1nccn1C(F)F)C(=O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H13Cl2F2N3O2/c1-20(7-12-19-4-5-21(12)14(17)18)13(22)8-23-11-3-2-9(15)6-10(11)16/h2-6,14H,7-8H2,1H3
InChIKeyVHCJSHAQCNZZDT-UHFFFAOYSA-N
MW364.18 g/mol
LogP3.62
Rot. Bonds6

About 2-(2,4-dichlorophenoxy)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylacetamide

2-(2,4-dichlorophenoxy)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylacetamide (PubChem CID 134050131) has the molecular formula C14H13Cl2F2N3O2 and a molecular weight of 364.18 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylacetamide
PubChem CID134050131
Molecular FormulaC14H13Cl2F2N3O2
Molecular Weight364.18 g/mol
Exact Mass363.04
IUPAC Name2-(2,4-dichlorophenoxy)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylacetamide
SMILESCN(Cc1nccn1C(F)F)C(=O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H13Cl2F2N3O2/c1-20(7-12-19-4-5-21(12)14(17)18)13(22)8-23-11-3-2-9(15)6-10(11)16/h2-6,14H,7-8H2,1H3
InChIKeyVHCJSHAQCNZZDT-UHFFFAOYSA-N
XLogP3.62
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.18
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(2,4-dichlorophenoxy)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-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

Related Compounds

2-(2,4-dichlorophenoxy)-N-(2-hydroxy-2-methylpropyl)-N-methylacetamide
CID 79291699
N-[(5-bromothiophen-2-yl)methyl]-2-(2,4-dichlorophenoxy)-N-methylacetamide
CID 55360454
N-(5-chloro-2-fluorophenyl)-2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]acetamide
CID 71986610
N-(2-cyanoethyl)-2-(2,4-dichlorophenoxy)-N-methylacetamide
CID 43213478
(1S)-1-[5-chloro-2-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]ethanol
CID 63364536
2-(2,4-dichlorophenoxy)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methylacetamide
CID 72902089
2,2-dichloro-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,1-dimethylcyclopropane-1-carboxamide
CID 134050130
ethyl 2-(2,4-dichlorophenoxy)acetate
CID 10780
N-(1-aminopropan-2-yl)-2-(2,4-dichlorophenoxy)-N-methylacetamide;hydrochloride
CID 119581253
1-[(5-chloro-2-ethoxyphenyl)methyl]-1-methyl-3-[(1-propan-2-ylimidazol-2-yl)methyl]urea
CID 122564585
2-(2-chloro-4-fluorophenoxy)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide
CID 112778718
1-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylmethanamine
CID 87013873

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylacetamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylacetamide (CID 134050131) is 2-(2,4-dichlorophenoxy)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylacetamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylacetamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylacetamide is CN(Cc1nccn1C(F)F)C(=O)COc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylacetamide?
The InChIKey is VHCJSHAQCNZZDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2F2N3O2/c1-20(7-12-19-4-5-21(12)14(17)18)13(22)8-23-11-3-2-9(15)6-10(11)16/h2-6,14H,7-8H2,1H3.
What are the key properties of 2-(2,4-dichlorophenoxy)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylacetamide?
2-(2,4-dichlorophenoxy)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylacetamide has a molecular weight of 364.18 g/mol, XLogP of 3.62, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylacetamide is sourced from PubChem (CID 134050131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).