2-(2,6-dichlorophenyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide

C11H7Cl2F3N4O — CID 36579735

IUPAC2-(2,6-dichlorophenyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide
SMILESO=C(Cc1c(Cl)cccc1Cl)Nc1n[nH]c(C(F)(F)F)n1
InChIInChI=1S/C11H7Cl2F3N4O/c12-6-2-1-3-7(13)5(6)4-8(21)17-10-18-9(19-20-10)11(14,15)16/h1-3H,4H2,(H2,17,18,19,20,21)
InChIKeyTUVMWTKRRHEBLU-UHFFFAOYSA-N
MW339.10 g/mol
LogP3.31
Rot. Bonds3

About 2-(2,6-dichlorophenyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide

2-(2,6-dichlorophenyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide (PubChem CID 36579735) has the molecular formula C11H7Cl2F3N4O and a molecular weight of 339.10 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide
PubChem CID36579735
Molecular FormulaC11H7Cl2F3N4O
Molecular Weight339.10 g/mol
Exact Mass337.99
IUPAC Name2-(2,6-dichlorophenyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide
SMILESO=C(Cc1c(Cl)cccc1Cl)Nc1n[nH]c(C(F)(F)F)n1
InChIInChI=1S/C11H7Cl2F3N4O/c12-6-2-1-3-7(13)5(6)4-8(21)17-10-18-9(19-20-10)11(14,15)16/h1-3H,4H2,(H2,17,18,19,20,21)
InChIKeyTUVMWTKRRHEBLU-UHFFFAOYSA-N
XLogP3.31
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.10
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(2,6-dichlorophenyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]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-(2,6-dichlorophenyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide?
The IUPAC name of 2-(2,6-dichlorophenyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide (CID 36579735) is 2-(2,6-dichlorophenyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide.
What is the SMILES notation for 2-(2,6-dichlorophenyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide?
The canonical SMILES for 2-(2,6-dichlorophenyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide is O=C(Cc1c(Cl)cccc1Cl)Nc1n[nH]c(C(F)(F)F)n1.
What is the InChIKey of 2-(2,6-dichlorophenyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide?
The InChIKey is TUVMWTKRRHEBLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl2F3N4O/c12-6-2-1-3-7(13)5(6)4-8(21)17-10-18-9(19-20-10)11(14,15)16/h1-3H,4H2,(H2,17,18,19,20,21).
What are the key properties of 2-(2,6-dichlorophenyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide?
2-(2,6-dichlorophenyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide has a molecular weight of 339.10 g/mol, XLogP of 3.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide is sourced from PubChem (CID 36579735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).