N-(2,4-dimethylphenyl)-2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]acetamide

C14H15F3N4O2 — CID 90542299

IUPACN-(2,4-dimethylphenyl)-2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]acetamide
SMILESCc1ccc(NC(=O)Cn2nc(C(F)(F)F)n(C)c2=O)c(C)c1
InChIInChI=1S/C14H15F3N4O2/c1-8-4-5-10(9(2)6-8)18-11(22)7-21-13(23)20(3)12(19-21)14(15,16)17/h4-6H,7H2,1-3H3,(H,18,22)
InChIKeyOCCGILITVHRVJC-UHFFFAOYSA-N
MW328.29 g/mol
LogP1.86
Rot. Bonds3

About N-(2,4-dimethylphenyl)-2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]acetamide

N-(2,4-dimethylphenyl)-2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]acetamide (PubChem CID 90542299) has the molecular formula C14H15F3N4O2 and a molecular weight of 328.29 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]acetamide
PubChem CID90542299
Molecular FormulaC14H15F3N4O2
Molecular Weight328.29 g/mol
Exact Mass328.11
IUPAC NameN-(2,4-dimethylphenyl)-2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]acetamide
SMILESCc1ccc(NC(=O)Cn2nc(C(F)(F)F)n(C)c2=O)c(C)c1
InChIInChI=1S/C14H15F3N4O2/c1-8-4-5-10(9(2)6-8)18-11(22)7-21-13(23)20(3)12(19-21)14(15,16)17/h4-6H,7H2,1-3H3,(H,18,22)
InChIKeyOCCGILITVHRVJC-UHFFFAOYSA-N
XLogP1.86
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.29
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-N-(2-methylphenyl)acetamide
CID 90542294
2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 90542359
N-(2,5-dimethoxyphenyl)-2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]acetamide
CID 90542351
2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 90542362
N-(2,4-dimethylphenyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 2623835
2-(3-cyclopropyl-5-oxo-4-phenyl-1,2,4-triazol-1-yl)-N-(2,4-dimethylphenyl)acetamide
CID 90542404
2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-N-propylacetamide
CID 90542331
2-(benzotriazol-1-yl)-N-(2,4-dimethylphenyl)acetamide
CID 856334
2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-(2,4-dimethylphenyl)acetamide
CID 7663496
N-(2,4-dimethylphenyl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide
CID 4796992
N-(2-methyl-4-nitrophenyl)-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19521848
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(2,4-dimethylphenyl)acetamide
CID 7182030

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]acetamide?
The IUPAC name of N-(2,4-dimethylphenyl)-2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]acetamide (CID 90542299) is N-(2,4-dimethylphenyl)-2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]acetamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]acetamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]acetamide is Cc1ccc(NC(=O)Cn2nc(C(F)(F)F)n(C)c2=O)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]acetamide?
The InChIKey is OCCGILITVHRVJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N4O2/c1-8-4-5-10(9(2)6-8)18-11(22)7-21-13(23)20(3)12(19-21)14(15,16)17/h4-6H,7H2,1-3H3,(H,18,22).
What are the key properties of N-(2,4-dimethylphenyl)-2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]acetamide?
N-(2,4-dimethylphenyl)-2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]acetamide has a molecular weight of 328.29 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]acetamide is sourced from PubChem (CID 90542299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).