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

C14H15F3N4O3 — CID 90541444

IUPAC2-methoxy-N-[2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethyl]benzamide
SMILESCOc1ccccc1C(=O)NCCn1nc(C(F)(F)F)n(C)c1=O
InChIInChI=1S/C14H15F3N4O3/c1-20-12(14(15,16)17)19-21(13(20)23)8-7-18-11(22)9-5-3-4-6-10(9)24-2/h3-6H,7-8H2,1-2H3,(H,18,22)
InChIKeyYCJZFPSVWGVFRY-UHFFFAOYSA-N
MW344.29 g/mol
LogP1.04
Rot. Bonds5

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

2-methoxy-N-[2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethyl]benzamide (PubChem CID 90541444) has the molecular formula C14H15F3N4O3 and a molecular weight of 344.29 g/mol. Its IUPAC name is 2-methoxy-N-[2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethyl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethyl]benzamide
PubChem CID90541444
Molecular FormulaC14H15F3N4O3
Molecular Weight344.29 g/mol
Exact Mass344.11
IUPAC Name2-methoxy-N-[2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethyl]benzamide
SMILESCOc1ccccc1C(=O)NCCn1nc(C(F)(F)F)n(C)c1=O
InChIInChI=1S/C14H15F3N4O3/c1-20-12(14(15,16)17)19-21(13(20)23)8-7-18-11(22)9-5-3-4-6-10(9)24-2/h3-6H,7-8H2,1-2H3,(H,18,22)
InChIKeyYCJZFPSVWGVFRY-UHFFFAOYSA-N
XLogP1.04
TPSA78.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.29
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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CID 91910978
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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethyl]benzamide?
The IUPAC name of 2-methoxy-N-[2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethyl]benzamide (CID 90541444) is 2-methoxy-N-[2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethyl]benzamide.
What is the SMILES notation for 2-methoxy-N-[2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethyl]benzamide?
The canonical SMILES for 2-methoxy-N-[2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethyl]benzamide is COc1ccccc1C(=O)NCCn1nc(C(F)(F)F)n(C)c1=O.
What is the InChIKey of 2-methoxy-N-[2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethyl]benzamide?
The InChIKey is YCJZFPSVWGVFRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N4O3/c1-20-12(14(15,16)17)19-21(13(20)23)8-7-18-11(22)9-5-3-4-6-10(9)24-2/h3-6H,7-8H2,1-2H3,(H,18,22).
What are the key properties of 2-methoxy-N-[2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethyl]benzamide?
2-methoxy-N-[2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethyl]benzamide has a molecular weight of 344.29 g/mol, XLogP of 1.04, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethyl]benzamide is sourced from PubChem (CID 90541444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).