2-(2,4-dichlorophenoxy)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methylacetamide

C16H19Cl2N3O2 — CID 72902089

IUPAC2-(2,4-dichlorophenoxy)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methylacetamide
SMILESCc1cc(C)n(CCN(C)C(=O)COc2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C16H19Cl2N3O2/c1-11-8-12(2)21(19-11)7-6-20(3)16(22)10-23-15-5-4-13(17)9-14(15)18/h4-5,8-9H,6-7,10H2,1-3H3
InChIKeyNPXCHGDWTHXZJW-UHFFFAOYSA-N
MW356.25 g/mol
LogP3.34
Rot. Bonds6

About 2-(2,4-dichlorophenoxy)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methylacetamide

2-(2,4-dichlorophenoxy)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methylacetamide (PubChem CID 72902089) has the molecular formula C16H19Cl2N3O2 and a molecular weight of 356.25 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methylacetamide
PubChem CID72902089
Molecular FormulaC16H19Cl2N3O2
Molecular Weight356.25 g/mol
Exact Mass355.09
IUPAC Name2-(2,4-dichlorophenoxy)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methylacetamide
SMILESCc1cc(C)n(CCN(C)C(=O)COc2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C16H19Cl2N3O2/c1-11-8-12(2)21(19-11)7-6-20(3)16(22)10-23-15-5-4-13(17)9-14(15)18/h4-5,8-9H,6-7,10H2,1-3H3
InChIKeyNPXCHGDWTHXZJW-UHFFFAOYSA-N
XLogP3.34
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.25
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyanoethyl)-2-(2,4-dichlorophenoxy)-N-methylacetamide
CID 43213478
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
2-(2,4-dichlorophenoxy)-N-methyl-N-(1-methylpiperidin-4-yl)acetamide
CID 110830692
2-(2,4-dichlorophenoxy)-N-ethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]acetamide
CID 72847611
ethyl 2-(2,4-dichlorophenoxy)acetate
CID 10780
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-2-thiophen-3-ylacetamide
CID 91832275
ethyl 2-[2-[2-(2,4-dichlorophenoxy)acetyl]-2-methylhydrazinyl]propanoate
CID 171770392
2-(2,4-dichlorophenoxy)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylacetamide
CID 134050131
2-(4-amino-2-chlorophenoxy)-N-ethyl-N-methylacetamide
CID 43309382
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-2-(oxan-2-ylmethoxy)acetamide
CID 91775564
N-(2-cyanoethyl)-2-(2,4-dichlorophenoxy)-N-ethylacetamide
CID 87018263

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methylacetamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methylacetamide (CID 72902089) is 2-(2,4-dichlorophenoxy)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methylacetamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methylacetamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methylacetamide is Cc1cc(C)n(CCN(C)C(=O)COc2ccc(Cl)cc2Cl)n1.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methylacetamide?
The InChIKey is NPXCHGDWTHXZJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl2N3O2/c1-11-8-12(2)21(19-11)7-6-20(3)16(22)10-23-15-5-4-13(17)9-14(15)18/h4-5,8-9H,6-7,10H2,1-3H3.
What are the key properties of 2-(2,4-dichlorophenoxy)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methylacetamide?
2-(2,4-dichlorophenoxy)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methylacetamide has a molecular weight of 356.25 g/mol, XLogP of 3.34, 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-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methylacetamide is sourced from PubChem (CID 72902089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).