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

C12H11F3N4O2 — CID 43021064

IUPAC2-(2-methylphenoxy)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide
SMILESCc1ccccc1OCC(=O)Nc1n[nH]c(C(F)(F)F)n1
InChIInChI=1S/C12H11F3N4O2/c1-7-4-2-3-5-8(7)21-6-9(20)16-11-17-10(18-19-11)12(13,14)15/h2-5H,6H2,1H3,(H2,16,17,18,19,20)
InChIKeyZZYAPBWVMXZGQW-UHFFFAOYSA-N
MW300.24 g/mol
LogP2.15
Rot. Bonds4

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

2-(2-methylphenoxy)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide (PubChem CID 43021064) has the molecular formula C12H11F3N4O2 and a molecular weight of 300.24 g/mol. Its IUPAC name is 2-(2-methylphenoxy)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide.

Molecular Properties

Compound Name2-(2-methylphenoxy)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide
PubChem CID43021064
Molecular FormulaC12H11F3N4O2
Molecular Weight300.24 g/mol
Exact Mass300.08
IUPAC Name2-(2-methylphenoxy)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide
SMILESCc1ccccc1OCC(=O)Nc1n[nH]c(C(F)(F)F)n1
InChIInChI=1S/C12H11F3N4O2/c1-7-4-2-3-5-8(7)21-6-9(20)16-11-17-10(18-19-11)12(13,14)15/h2-5H,6H2,1H3,(H2,16,17,18,19,20)
InChIKeyZZYAPBWVMXZGQW-UHFFFAOYSA-N
XLogP2.15
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.24
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenoxy)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide?
The IUPAC name of 2-(2-methylphenoxy)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide (CID 43021064) is 2-(2-methylphenoxy)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide.
What is the SMILES notation for 2-(2-methylphenoxy)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide?
The canonical SMILES for 2-(2-methylphenoxy)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide is Cc1ccccc1OCC(=O)Nc1n[nH]c(C(F)(F)F)n1.
What is the InChIKey of 2-(2-methylphenoxy)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide?
The InChIKey is ZZYAPBWVMXZGQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N4O2/c1-7-4-2-3-5-8(7)21-6-9(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-methylphenoxy)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide?
2-(2-methylphenoxy)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide has a molecular weight of 300.24 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenoxy)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide is sourced from PubChem (CID 43021064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).