N-(1-ethyltriazol-4-yl)-2-fluoro-6-(trifluoromethoxy)benzamide

C12H10F4N4O2 — CID 166376391

IUPACN-(1-ethyltriazol-4-yl)-2-fluoro-6-(trifluoromethoxy)benzamide
SMILESCCn1cc(NC(=O)c2c(F)cccc2OC(F)(F)F)nn1
InChIInChI=1S/C12H10F4N4O2/c1-2-20-6-9(18-19-20)17-11(21)10-7(13)4-3-5-8(10)22-12(14,15)16/h3-6H,2H2,1H3,(H,17,21)
InChIKeyGZQQABLAQCYIOU-UHFFFAOYSA-N
MW318.23 g/mol
LogP2.59
Rot. Bonds4

About N-(1-ethyltriazol-4-yl)-2-fluoro-6-(trifluoromethoxy)benzamide

N-(1-ethyltriazol-4-yl)-2-fluoro-6-(trifluoromethoxy)benzamide (PubChem CID 166376391) has the molecular formula C12H10F4N4O2 and a molecular weight of 318.23 g/mol. Its IUPAC name is N-(1-ethyltriazol-4-yl)-2-fluoro-6-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-(1-ethyltriazol-4-yl)-2-fluoro-6-(trifluoromethoxy)benzamide
PubChem CID166376391
Molecular FormulaC12H10F4N4O2
Molecular Weight318.23 g/mol
Exact Mass318.07
IUPAC NameN-(1-ethyltriazol-4-yl)-2-fluoro-6-(trifluoromethoxy)benzamide
SMILESCCn1cc(NC(=O)c2c(F)cccc2OC(F)(F)F)nn1
InChIInChI=1S/C12H10F4N4O2/c1-2-20-6-9(18-19-20)17-11(21)10-7(13)4-3-5-8(10)22-12(14,15)16/h3-6H,2H2,1H3,(H,17,21)
InChIKeyGZQQABLAQCYIOU-UHFFFAOYSA-N
XLogP2.59
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.23
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethyltriazol-4-yl)-2-fluoro-6-(trifluoromethoxy)benzamide?
The IUPAC name of N-(1-ethyltriazol-4-yl)-2-fluoro-6-(trifluoromethoxy)benzamide (CID 166376391) is N-(1-ethyltriazol-4-yl)-2-fluoro-6-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-(1-ethyltriazol-4-yl)-2-fluoro-6-(trifluoromethoxy)benzamide?
The canonical SMILES for N-(1-ethyltriazol-4-yl)-2-fluoro-6-(trifluoromethoxy)benzamide is CCn1cc(NC(=O)c2c(F)cccc2OC(F)(F)F)nn1.
What is the InChIKey of N-(1-ethyltriazol-4-yl)-2-fluoro-6-(trifluoromethoxy)benzamide?
The InChIKey is GZQQABLAQCYIOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F4N4O2/c1-2-20-6-9(18-19-20)17-11(21)10-7(13)4-3-5-8(10)22-12(14,15)16/h3-6H,2H2,1H3,(H,17,21).
What are the key properties of N-(1-ethyltriazol-4-yl)-2-fluoro-6-(trifluoromethoxy)benzamide?
N-(1-ethyltriazol-4-yl)-2-fluoro-6-(trifluoromethoxy)benzamide has a molecular weight of 318.23 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyltriazol-4-yl)-2-fluoro-6-(trifluoromethoxy)benzamide is sourced from PubChem (CID 166376391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).