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

C14H12F3N5O2 — CID 91821588

IUPAC2-(1-methylindol-4-yl)oxy-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide
SMILESCn1ccc2c(OCC(=O)Nc3n[nH]c(C(F)(F)F)n3)cccc21
InChIInChI=1S/C14H12F3N5O2/c1-22-6-5-8-9(22)3-2-4-10(8)24-7-11(23)18-13-19-12(20-21-13)14(15,16)17/h2-6H,7H2,1H3,(H2,18,19,20,21,23)
InChIKeyFKOPYSOCNFYKRJ-UHFFFAOYSA-N
MW339.28 g/mol
LogP2.33
Rot. Bonds4

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

2-(1-methylindol-4-yl)oxy-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide (PubChem CID 91821588) has the molecular formula C14H12F3N5O2 and a molecular weight of 339.28 g/mol. Its IUPAC name is 2-(1-methylindol-4-yl)oxy-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide.

Molecular Properties

Compound Name2-(1-methylindol-4-yl)oxy-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide
PubChem CID91821588
Molecular FormulaC14H12F3N5O2
Molecular Weight339.28 g/mol
Exact Mass339.09
IUPAC Name2-(1-methylindol-4-yl)oxy-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide
SMILESCn1ccc2c(OCC(=O)Nc3n[nH]c(C(F)(F)F)n3)cccc21
InChIInChI=1S/C14H12F3N5O2/c1-22-6-5-8-9(22)3-2-4-10(8)24-7-11(23)18-13-19-12(20-21-13)14(15,16)17/h2-6H,7H2,1H3,(H2,18,19,20,21,23)
InChIKeyFKOPYSOCNFYKRJ-UHFFFAOYSA-N
XLogP2.33
TPSA84.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.28
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-methylindol-4-yl)oxy-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)acetamide
CID 91822510
2-(2-methoxyphenoxy)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide
CID 36579720
N-(6-chloro-3-pyridinyl)-2-(1-methylindol-4-yl)oxyacetamide
CID 91822344
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
N-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]-2-(1-propan-2-ylindol-4-yl)oxyacetamide
CID 91823188
N-(2-methoxy-3-pyridinyl)-2-(1-methylindol-4-yl)oxyacetamide
CID 91821935
N-methyl-2-[2-[[2-(1-methylindol-4-yl)oxyacetyl]amino]-1,3-thiazol-4-yl]acetamide
CID 91823289
2-ethoxy-N-[2-oxo-2-[[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]amino]ethyl]benzamide
CID 43061330
2-[(3,5,6-trichloro-2-pyridinyl)oxy]-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide
CID 166940160
2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide
CID 38016174
N-[(3R)-1,1-dioxothiolan-3-yl]-2-(1-methylindol-4-yl)oxyacetamide
CID 124878602

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylindol-4-yl)oxy-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide?
The IUPAC name of 2-(1-methylindol-4-yl)oxy-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide (CID 91821588) is 2-(1-methylindol-4-yl)oxy-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide.
What is the SMILES notation for 2-(1-methylindol-4-yl)oxy-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide?
The canonical SMILES for 2-(1-methylindol-4-yl)oxy-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide is Cn1ccc2c(OCC(=O)Nc3n[nH]c(C(F)(F)F)n3)cccc21.
What is the InChIKey of 2-(1-methylindol-4-yl)oxy-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide?
The InChIKey is FKOPYSOCNFYKRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N5O2/c1-22-6-5-8-9(22)3-2-4-10(8)24-7-11(23)18-13-19-12(20-21-13)14(15,16)17/h2-6H,7H2,1H3,(H2,18,19,20,21,23).
What are the key properties of 2-(1-methylindol-4-yl)oxy-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide?
2-(1-methylindol-4-yl)oxy-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide has a molecular weight of 339.28 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylindol-4-yl)oxy-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide is sourced from PubChem (CID 91821588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).