5-ethyl-1-phenyl-N-[2-(trifluoromethoxy)phenyl]triazole-4-carboxamide

C18H15F3N4O2 — CID 24825153

IUPAC5-ethyl-1-phenyl-N-[2-(trifluoromethoxy)phenyl]triazole-4-carboxamide
SMILESCCc1c(C(=O)Nc2ccccc2OC(F)(F)F)nnn1-c1ccccc1
InChIInChI=1S/C18H15F3N4O2/c1-2-14-16(23-24-25(14)12-8-4-3-5-9-12)17(26)22-13-10-6-7-11-15(13)27-18(19,20)21/h3-11H,2H2,1H3,(H,22,26)
InChIKeyJEEFDYSUYYXLJC-UHFFFAOYSA-N
MW376.34 g/mol
LogP3.98
Rot. Bonds5

About 5-ethyl-1-phenyl-N-[2-(trifluoromethoxy)phenyl]triazole-4-carboxamide

5-ethyl-1-phenyl-N-[2-(trifluoromethoxy)phenyl]triazole-4-carboxamide (PubChem CID 24825153) has the molecular formula C18H15F3N4O2 and a molecular weight of 376.34 g/mol. Its IUPAC name is 5-ethyl-1-phenyl-N-[2-(trifluoromethoxy)phenyl]triazole-4-carboxamide.

Molecular Properties

Compound Name5-ethyl-1-phenyl-N-[2-(trifluoromethoxy)phenyl]triazole-4-carboxamide
PubChem CID24825153
Molecular FormulaC18H15F3N4O2
Molecular Weight376.34 g/mol
Exact Mass376.11
IUPAC Name5-ethyl-1-phenyl-N-[2-(trifluoromethoxy)phenyl]triazole-4-carboxamide
SMILESCCc1c(C(=O)Nc2ccccc2OC(F)(F)F)nnn1-c1ccccc1
InChIInChI=1S/C18H15F3N4O2/c1-2-14-16(23-24-25(14)12-8-4-3-5-9-12)17(26)22-13-10-6-7-11-15(13)27-18(19,20)21/h3-11H,2H2,1H3,(H,22,26)
InChIKeyJEEFDYSUYYXLJC-UHFFFAOYSA-N
XLogP3.98
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.34
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,4-dimethoxyphenyl)-5-ethyl-1-phenyltriazole-4-carboxamide
CID 91885850
5-ethyl-N,1-diphenyltriazole-4-carboxamide
CID 15944220
5-ethyl-N-(4-fluorophenyl)-1-phenyltriazole-4-carboxamide
CID 15944151
4-oxo-3-phenyl-N-[2-(trifluoromethoxy)phenyl]phthalazine-1-carboxamide
CID 35202250
N-(2-fluorophenyl)-1-phenyl-5-propyltriazole-4-carboxamide
CID 17015504
5-ethyl-N-(3-methoxyphenyl)-1-phenyltriazole-4-carboxamide
CID 15944215
1-[4-(difluoromethoxy)phenyl]-5-ethyl-N-(2-fluorophenyl)triazole-4-carboxamide
CID 71758819
1-[4-(difluoromethoxy)phenyl]-5-ethyl-N-phenyltriazole-4-carboxamide
CID 16654298
N-(2-ethoxyphenyl)-5-(methoxymethyl)-1-(3-methylphenyl)triazole-4-carboxamide
CID 16651724
3-bromo-N-[2-(trifluoromethoxy)phenyl]pyridine-2-carboxamide
CID 107517737
5-amino-1-(4-chlorophenyl)-N-(2-ethoxyphenyl)triazole-4-carboxamide
CID 6498251
1-ethyl-N-[2-(trifluoromethoxy)phenyl]benzotriazole-5-carboxamide
CID 27298510

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-phenyl-N-[2-(trifluoromethoxy)phenyl]triazole-4-carboxamide?
The IUPAC name of 5-ethyl-1-phenyl-N-[2-(trifluoromethoxy)phenyl]triazole-4-carboxamide (CID 24825153) is 5-ethyl-1-phenyl-N-[2-(trifluoromethoxy)phenyl]triazole-4-carboxamide.
What is the SMILES notation for 5-ethyl-1-phenyl-N-[2-(trifluoromethoxy)phenyl]triazole-4-carboxamide?
The canonical SMILES for 5-ethyl-1-phenyl-N-[2-(trifluoromethoxy)phenyl]triazole-4-carboxamide is CCc1c(C(=O)Nc2ccccc2OC(F)(F)F)nnn1-c1ccccc1.
What is the InChIKey of 5-ethyl-1-phenyl-N-[2-(trifluoromethoxy)phenyl]triazole-4-carboxamide?
The InChIKey is JEEFDYSUYYXLJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N4O2/c1-2-14-16(23-24-25(14)12-8-4-3-5-9-12)17(26)22-13-10-6-7-11-15(13)27-18(19,20)21/h3-11H,2H2,1H3,(H,22,26).
What are the key properties of 5-ethyl-1-phenyl-N-[2-(trifluoromethoxy)phenyl]triazole-4-carboxamide?
5-ethyl-1-phenyl-N-[2-(trifluoromethoxy)phenyl]triazole-4-carboxamide has a molecular weight of 376.34 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-phenyl-N-[2-(trifluoromethoxy)phenyl]triazole-4-carboxamide is sourced from PubChem (CID 24825153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).