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

C15H17F3N4O2 — CID 36579138

IUPAC2-(2-methyl-5-propan-2-ylphenoxy)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide
SMILESCc1ccc(C(C)C)cc1OCC(=O)Nc1n[nH]c(C(F)(F)F)n1
InChIInChI=1S/C15H17F3N4O2/c1-8(2)10-5-4-9(3)11(6-10)24-7-12(23)19-14-20-13(21-22-14)15(16,17)18/h4-6,8H,7H2,1-3H3,(H2,19,20,21,22,23)
InChIKeyWNJGZYFPANMJRB-UHFFFAOYSA-N
MW342.32 g/mol
LogP3.27
Rot. Bonds5

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

2-(2-methyl-5-propan-2-ylphenoxy)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide (PubChem CID 36579138) has the molecular formula C15H17F3N4O2 and a molecular weight of 342.32 g/mol. Its IUPAC name is 2-(2-methyl-5-propan-2-ylphenoxy)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide.

Molecular Properties

Compound Name2-(2-methyl-5-propan-2-ylphenoxy)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide
PubChem CID36579138
Molecular FormulaC15H17F3N4O2
Molecular Weight342.32 g/mol
Exact Mass342.13
IUPAC Name2-(2-methyl-5-propan-2-ylphenoxy)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide
SMILESCc1ccc(C(C)C)cc1OCC(=O)Nc1n[nH]c(C(F)(F)F)n1
InChIInChI=1S/C15H17F3N4O2/c1-8(2)10-5-4-9(3)11(6-10)24-7-12(23)19-14-20-13(21-22-14)15(16,17)18/h4-6,8H,7H2,1-3H3,(H2,19,20,21,22,23)
InChIKeyWNJGZYFPANMJRB-UHFFFAOYSA-N
XLogP3.27
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.32
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-5-propan-2-ylphenoxy)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide?
The IUPAC name of 2-(2-methyl-5-propan-2-ylphenoxy)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide (CID 36579138) is 2-(2-methyl-5-propan-2-ylphenoxy)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide.
What is the SMILES notation for 2-(2-methyl-5-propan-2-ylphenoxy)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide?
The canonical SMILES for 2-(2-methyl-5-propan-2-ylphenoxy)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide is Cc1ccc(C(C)C)cc1OCC(=O)Nc1n[nH]c(C(F)(F)F)n1.
What is the InChIKey of 2-(2-methyl-5-propan-2-ylphenoxy)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide?
The InChIKey is WNJGZYFPANMJRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N4O2/c1-8(2)10-5-4-9(3)11(6-10)24-7-12(23)19-14-20-13(21-22-14)15(16,17)18/h4-6,8H,7H2,1-3H3,(H2,19,20,21,22,23).
What are the key properties of 2-(2-methyl-5-propan-2-ylphenoxy)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide?
2-(2-methyl-5-propan-2-ylphenoxy)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide has a molecular weight of 342.32 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-5-propan-2-ylphenoxy)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide is sourced from PubChem (CID 36579138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).