2-(4-acetamidotriazol-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide

C13H12F3N5O2 — CID 112520710

IUPAC2-(4-acetamidotriazol-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESCC(=O)Nc1cn(CC(=O)Nc2ccccc2C(F)(F)F)nn1
InChIInChI=1S/C13H12F3N5O2/c1-8(22)17-11-6-21(20-19-11)7-12(23)18-10-5-3-2-4-9(10)13(14,15)16/h2-6H,7H2,1H3,(H,17,22)(H,18,23)
InChIKeyYPGQCRCFRSMVJV-UHFFFAOYSA-N
MW327.27 g/mol
LogP1.89
Rot. Bonds4

About 2-(4-acetamidotriazol-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide

2-(4-acetamidotriazol-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide (PubChem CID 112520710) has the molecular formula C13H12F3N5O2 and a molecular weight of 327.27 g/mol. Its IUPAC name is 2-(4-acetamidotriazol-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-acetamidotriazol-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
PubChem CID112520710
Molecular FormulaC13H12F3N5O2
Molecular Weight327.27 g/mol
Exact Mass327.09
IUPAC Name2-(4-acetamidotriazol-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESCC(=O)Nc1cn(CC(=O)Nc2ccccc2C(F)(F)F)nn1
InChIInChI=1S/C13H12F3N5O2/c1-8(22)17-11-6-21(20-19-11)7-12(23)18-10-5-3-2-4-9(10)13(14,15)16/h2-6H,7H2,1H3,(H,17,22)(H,18,23)
InChIKeyYPGQCRCFRSMVJV-UHFFFAOYSA-N
XLogP1.89
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.27
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]triazol-4-yl]cyclobutanecarboxamide
CID 112520718
N-[1-[2-(2-fluoroanilino)-2-oxoethyl]triazol-4-yl]-2-methylpropanamide
CID 112521311
2-(4-acetamidotriazol-1-yl)-N-benzylacetamide
CID 112520101
2-(4-acetamidotriazol-1-yl)-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 112529383
methyl N-[1-[2-(2-ethylanilino)-2-oxoethyl]triazol-4-yl]carbamate
CID 112524017
2-(4-acetamidotriazol-1-yl)-N-[(2,6-difluorophenyl)methyl]acetamide
CID 112522503
N-(4-acetamidophenyl)-N'-[2-(trifluoromethyl)phenyl]propanediamide
CID 108956034
N-[6-[2-(trifluoromethyl)anilino]pyridazin-3-yl]acetamide
CID 113048912
2-(5-phenyltetrazol-2-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 16508183
2-[5-(4-methylphenyl)tetrazol-2-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 1169430
N-[1-(2-anilino-2-oxoethyl)triazol-4-yl]-2-methylpropanamide
CID 112520407
2-(3-nitro-1,2,4-triazol-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 749084

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidotriazol-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(4-acetamidotriazol-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide (CID 112520710) is 2-(4-acetamidotriazol-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(4-acetamidotriazol-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(4-acetamidotriazol-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide is CC(=O)Nc1cn(CC(=O)Nc2ccccc2C(F)(F)F)nn1.
What is the InChIKey of 2-(4-acetamidotriazol-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is YPGQCRCFRSMVJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N5O2/c1-8(22)17-11-6-21(20-19-11)7-12(23)18-10-5-3-2-4-9(10)13(14,15)16/h2-6H,7H2,1H3,(H,17,22)(H,18,23).
What are the key properties of 2-(4-acetamidotriazol-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide?
2-(4-acetamidotriazol-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 327.27 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidotriazol-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 112520710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).