2-(2,4-dichlorophenoxy)-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide

C14H12Cl2F3N3O2 — CID 71808041

IUPAC2-(2,4-dichlorophenoxy)-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide
SMILESO=C(COc1ccc(Cl)cc1Cl)NCCn1ccc(C(F)(F)F)n1
InChIInChI=1S/C14H12Cl2F3N3O2/c15-9-1-2-11(10(16)7-9)24-8-13(23)20-4-6-22-5-3-12(21-22)14(17,18)19/h1-3,5,7H,4,6,8H2,(H,20,23)
InChIKeyOTEIGBHEXVBSGN-UHFFFAOYSA-N
MW382.17 g/mol
LogP3.40
Rot. Bonds6

About 2-(2,4-dichlorophenoxy)-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide

2-(2,4-dichlorophenoxy)-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide (PubChem CID 71808041) has the molecular formula C14H12Cl2F3N3O2 and a molecular weight of 382.17 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide
PubChem CID71808041
Molecular FormulaC14H12Cl2F3N3O2
Molecular Weight382.17 g/mol
Exact Mass381.03
IUPAC Name2-(2,4-dichlorophenoxy)-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide
SMILESO=C(COc1ccc(Cl)cc1Cl)NCCn1ccc(C(F)(F)F)n1
InChIInChI=1S/C14H12Cl2F3N3O2/c15-9-1-2-11(10(16)7-9)24-8-13(23)20-4-6-22-5-3-12(21-22)14(17,18)19/h1-3,5,7H,4,6,8H2,(H,20,23)
InChIKeyOTEIGBHEXVBSGN-UHFFFAOYSA-N
XLogP3.40
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.17
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2,4-dichlorophenoxy)-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide 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-(2,4-dichlorophenoxy)-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide (CID 71808041) is 2-(2,4-dichlorophenoxy)-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide is O=C(COc1ccc(Cl)cc1Cl)NCCn1ccc(C(F)(F)F)n1.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide?
The InChIKey is OTEIGBHEXVBSGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2F3N3O2/c15-9-1-2-11(10(16)7-9)24-8-13(23)20-4-6-22-5-3-12(21-22)14(17,18)19/h1-3,5,7H,4,6,8H2,(H,20,23).
What are the key properties of 2-(2,4-dichlorophenoxy)-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide?
2-(2,4-dichlorophenoxy)-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide has a molecular weight of 382.17 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide is sourced from PubChem (CID 71808041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).