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

C14H14F4N4O2 — CID 71793252

IUPAC2-(4-fluorophenyl)-N-[2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethyl]acetamide
SMILESCn1c(C(F)(F)F)nn(CCNC(=O)Cc2ccc(F)cc2)c1=O
InChIInChI=1S/C14H14F4N4O2/c1-21-12(14(16,17)18)20-22(13(21)24)7-6-19-11(23)8-9-2-4-10(15)5-3-9/h2-5H,6-8H2,1H3,(H,19,23)
InChIKeyXSVUSZYPNZZBGY-UHFFFAOYSA-N
MW346.28 g/mol
LogP1.10
Rot. Bonds5

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

2-(4-fluorophenyl)-N-[2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethyl]acetamide (PubChem CID 71793252) has the molecular formula C14H14F4N4O2 and a molecular weight of 346.28 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethyl]acetamide
PubChem CID71793252
Molecular FormulaC14H14F4N4O2
Molecular Weight346.28 g/mol
Exact Mass346.11
IUPAC Name2-(4-fluorophenyl)-N-[2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethyl]acetamide
SMILESCn1c(C(F)(F)F)nn(CCNC(=O)Cc2ccc(F)cc2)c1=O
InChIInChI=1S/C14H14F4N4O2/c1-21-12(14(16,17)18)20-22(13(21)24)7-6-19-11(23)8-9-2-4-10(15)5-3-9/h2-5H,6-8H2,1H3,(H,19,23)
InChIKeyXSVUSZYPNZZBGY-UHFFFAOYSA-N
XLogP1.10
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.28
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethyl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethyl]acetamide (CID 71793252) is 2-(4-fluorophenyl)-N-[2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethyl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethyl]acetamide is Cn1c(C(F)(F)F)nn(CCNC(=O)Cc2ccc(F)cc2)c1=O.
What is the InChIKey of 2-(4-fluorophenyl)-N-[2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethyl]acetamide?
The InChIKey is XSVUSZYPNZZBGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F4N4O2/c1-21-12(14(16,17)18)20-22(13(21)24)7-6-19-11(23)8-9-2-4-10(15)5-3-9/h2-5H,6-8H2,1H3,(H,19,23).
What are the key properties of 2-(4-fluorophenyl)-N-[2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethyl]acetamide?
2-(4-fluorophenyl)-N-[2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethyl]acetamide has a molecular weight of 346.28 g/mol, XLogP of 1.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethyl]acetamide is sourced from PubChem (CID 71793252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).