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

C12H11F3N4O3 — CID 36579720

IUPAC2-(2-methoxyphenoxy)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide
SMILESCOc1ccccc1OCC(=O)Nc1n[nH]c(C(F)(F)F)n1
InChIInChI=1S/C12H11F3N4O3/c1-21-7-4-2-3-5-8(7)22-6-9(20)16-11-17-10(18-19-11)12(13,14)15/h2-5H,6H2,1H3,(H2,16,17,18,19,20)
InChIKeyIBQMEXAQPYOUDX-UHFFFAOYSA-N
MW316.24 g/mol
LogP1.85
Rot. Bonds5

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

2-(2-methoxyphenoxy)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide (PubChem CID 36579720) has the molecular formula C12H11F3N4O3 and a molecular weight of 316.24 g/mol. Its IUPAC name is 2-(2-methoxyphenoxy)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide.

Molecular Properties

Compound Name2-(2-methoxyphenoxy)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide
PubChem CID36579720
Molecular FormulaC12H11F3N4O3
Molecular Weight316.24 g/mol
Exact Mass316.08
IUPAC Name2-(2-methoxyphenoxy)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide
SMILESCOc1ccccc1OCC(=O)Nc1n[nH]c(C(F)(F)F)n1
InChIInChI=1S/C12H11F3N4O3/c1-21-7-4-2-3-5-8(7)22-6-9(20)16-11-17-10(18-19-11)12(13,14)15/h2-5H,6H2,1H3,(H2,16,17,18,19,20)
InChIKeyIBQMEXAQPYOUDX-UHFFFAOYSA-N
XLogP1.85
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.24
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-methylindol-4-yl)oxy-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide
CID 91821588
2-(2-bromo-4-fluorophenoxy)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide
CID 43022536
2-(2,4,5-trichlorophenoxy)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide
CID 46548915
2-ethoxy-N-[2-oxo-2-[[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]amino]ethyl]benzamide
CID 43061330
N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(2-methoxyphenoxy)acetamide
CID 115594830
N-(2,6-difluorophenyl)-2-(2-methoxyphenoxy)acetamide
CID 970586
2-[(3,5,6-trichloro-2-pyridinyl)oxy]-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide
CID 166940160
2-(2-ethoxyphenoxy)-N-[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]acetamide
CID 9246888
2-(2,6-dimethylphenoxy)-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]acetamide
CID 55646062
2-(2-fluorophenoxy)-N-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]acetamide
CID 9246413
2-(2-methoxyphenoxy)-N-(4-methylphenyl)acetamide
CID 675575
2-(2-methoxyphenoxy)-N-(5-phenyl-1,2,4-oxadiazol-3-yl)acetamide
CID 20897192

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenoxy)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide?
The IUPAC name of 2-(2-methoxyphenoxy)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide (CID 36579720) is 2-(2-methoxyphenoxy)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide.
What is the SMILES notation for 2-(2-methoxyphenoxy)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide?
The canonical SMILES for 2-(2-methoxyphenoxy)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide is COc1ccccc1OCC(=O)Nc1n[nH]c(C(F)(F)F)n1.
What is the InChIKey of 2-(2-methoxyphenoxy)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide?
The InChIKey is IBQMEXAQPYOUDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N4O3/c1-21-7-4-2-3-5-8(7)22-6-9(20)16-11-17-10(18-19-11)12(13,14)15/h2-5H,6H2,1H3,(H2,16,17,18,19,20).
What are the key properties of 2-(2-methoxyphenoxy)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide?
2-(2-methoxyphenoxy)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide has a molecular weight of 316.24 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenoxy)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide is sourced from PubChem (CID 36579720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).