2-(4-phenyltriazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide

C12H11F3N4O — CID 163355208

IUPAC2-(4-phenyltriazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(Cn1cc(-c2ccccc2)nn1)NCC(F)(F)F
InChIInChI=1S/C12H11F3N4O/c13-12(14,15)8-16-11(20)7-19-6-10(17-18-19)9-4-2-1-3-5-9/h1-6H,7-8H2,(H,16,20)
InChIKeyPFSPYOVCSBOHOM-UHFFFAOYSA-N
MW284.24 g/mol
LogP1.62
Rot. Bonds4

About 2-(4-phenyltriazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide

2-(4-phenyltriazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 163355208) has the molecular formula C12H11F3N4O and a molecular weight of 284.24 g/mol. Its IUPAC name is 2-(4-phenyltriazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(4-phenyltriazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID163355208
Molecular FormulaC12H11F3N4O
Molecular Weight284.24 g/mol
Exact Mass284.09
IUPAC Name2-(4-phenyltriazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(Cn1cc(-c2ccccc2)nn1)NCC(F)(F)F
InChIInChI=1S/C12H11F3N4O/c13-12(14,15)8-16-11(20)7-19-6-10(17-18-19)9-4-2-1-3-5-9/h1-6H,7-8H2,(H,16,20)
InChIKeyPFSPYOVCSBOHOM-UHFFFAOYSA-N
XLogP1.62
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.24
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-formyltriazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 66215009
N-(4-bromophenyl)-2-(4-phenyltriazol-1-yl)acetamide
CID 138373884
N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-(4-phenyltriazol-1-yl)acetamide
CID 172988377
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-phenyltriazol-1-yl)acetamide
CID 166220873
2-[4-[(tert-butylamino)methyl]triazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 66191701
N-(1,3-benzothiazol-2-yl)-2-(4-phenyltriazol-1-yl)acetamide
CID 162421443
(E)-2-[[2-(4-phenyltriazol-1-yl)acetyl]amino]hex-4-enoic acid
CID 120693470
N-benzyl-2-[4-(3,5-dimethoxyphenyl)triazol-1-yl]acetamide
CID 122193651
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(4-phenyltriazol-1-yl)acetamide
CID 166220952
1-[2,2,3,3,4,4,5,5-octafluoro-6-(4-phenyltriazol-1-yl)hexyl]-4-phenyltriazole
CID 118906956
N-[(1R)-1-[5-(2-fluoro-2-methylpropoxy)-2-pyridinyl]ethyl]-2-(4-phenyltriazol-1-yl)acetamide
CID 70312844
N-pyridin-2-yl-2-[4-[6-(trifluoromethyl)-3-pyridinyl]triazol-1-yl]acetamide
CID 166387836

Frequently Asked Questions

What is the IUPAC name of 2-(4-phenyltriazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(4-phenyltriazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide (CID 163355208) is 2-(4-phenyltriazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(4-phenyltriazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(4-phenyltriazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide is O=C(Cn1cc(-c2ccccc2)nn1)NCC(F)(F)F.
What is the InChIKey of 2-(4-phenyltriazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is PFSPYOVCSBOHOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N4O/c13-12(14,15)8-16-11(20)7-19-6-10(17-18-19)9-4-2-1-3-5-9/h1-6H,7-8H2,(H,16,20).
What are the key properties of 2-(4-phenyltriazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
2-(4-phenyltriazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 284.24 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenyltriazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 163355208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).