2-(difluoromethoxy)-3-fluoro-N-[[3-(2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide

C18H15F3N4O3 — CID 156565695

IUPAC2-(difluoromethoxy)-3-fluoro-N-[[3-(2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide
SMILESCOc1ccccc1-c1n[nH]c(CNC(=O)c2cccc(F)c2OC(F)F)n1
InChIInChI=1S/C18H15F3N4O3/c1-27-13-8-3-2-5-10(13)16-23-14(24-25-16)9-22-17(26)11-6-4-7-12(19)15(11)28-18(20)21/h2-8,18H,9H2,1H3,(H,22,26)(H,23,24,25)
InChIKeyAKSNZNIIVBUPBC-UHFFFAOYSA-N
MW392.34 g/mol
LogP3.15
Rot. Bonds7

About 2-(difluoromethoxy)-3-fluoro-N-[[3-(2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide

2-(difluoromethoxy)-3-fluoro-N-[[3-(2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide (PubChem CID 156565695) has the molecular formula C18H15F3N4O3 and a molecular weight of 392.34 g/mol. Its IUPAC name is 2-(difluoromethoxy)-3-fluoro-N-[[3-(2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide.

Molecular Properties

Compound Name2-(difluoromethoxy)-3-fluoro-N-[[3-(2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide
PubChem CID156565695
Molecular FormulaC18H15F3N4O3
Molecular Weight392.34 g/mol
Exact Mass392.11
IUPAC Name2-(difluoromethoxy)-3-fluoro-N-[[3-(2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide
SMILESCOc1ccccc1-c1n[nH]c(CNC(=O)c2cccc(F)c2OC(F)F)n1
InChIInChI=1S/C18H15F3N4O3/c1-27-13-8-3-2-5-10(13)16-23-14(24-25-16)9-22-17(26)11-6-4-7-12(19)15(11)28-18(20)21/h2-8,18H,9H2,1H3,(H,22,26)(H,23,24,25)
InChIKeyAKSNZNIIVBUPBC-UHFFFAOYSA-N
XLogP3.15
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.34
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-3-fluoro-N-[[3-(2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide?
The IUPAC name of 2-(difluoromethoxy)-3-fluoro-N-[[3-(2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide (CID 156565695) is 2-(difluoromethoxy)-3-fluoro-N-[[3-(2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide.
What is the SMILES notation for 2-(difluoromethoxy)-3-fluoro-N-[[3-(2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide?
The canonical SMILES for 2-(difluoromethoxy)-3-fluoro-N-[[3-(2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide is COc1ccccc1-c1n[nH]c(CNC(=O)c2cccc(F)c2OC(F)F)n1.
What is the InChIKey of 2-(difluoromethoxy)-3-fluoro-N-[[3-(2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide?
The InChIKey is AKSNZNIIVBUPBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N4O3/c1-27-13-8-3-2-5-10(13)16-23-14(24-25-16)9-22-17(26)11-6-4-7-12(19)15(11)28-18(20)21/h2-8,18H,9H2,1H3,(H,22,26)(H,23,24,25).
What are the key properties of 2-(difluoromethoxy)-3-fluoro-N-[[3-(2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide?
2-(difluoromethoxy)-3-fluoro-N-[[3-(2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide has a molecular weight of 392.34 g/mol, XLogP of 3.15, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-3-fluoro-N-[[3-(2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide is sourced from PubChem (CID 156565695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).