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

C18H15F3N4O3 — CID 156565658

IUPAC2-(difluoromethoxy)-5-fluoro-N-[[3-(2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide
SMILESCOc1ccccc1-c1n[nH]c(CNC(=O)c2cc(F)ccc2OC(F)F)n1
InChIInChI=1S/C18H15F3N4O3/c1-27-13-5-3-2-4-11(13)16-23-15(24-25-16)9-22-17(26)12-8-10(19)6-7-14(12)28-18(20)21/h2-8,18H,9H2,1H3,(H,22,26)(H,23,24,25)
InChIKeyAYHXIMQASNZSHI-UHFFFAOYSA-N
MW392.34 g/mol
LogP3.15
Rot. Bonds7

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

2-(difluoromethoxy)-5-fluoro-N-[[3-(2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide (PubChem CID 156565658) has the molecular formula C18H15F3N4O3 and a molecular weight of 392.34 g/mol. Its IUPAC name is 2-(difluoromethoxy)-5-fluoro-N-[[3-(2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide.

Molecular Properties

Compound Name2-(difluoromethoxy)-5-fluoro-N-[[3-(2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide
PubChem CID156565658
Molecular FormulaC18H15F3N4O3
Molecular Weight392.34 g/mol
Exact Mass392.11
IUPAC Name2-(difluoromethoxy)-5-fluoro-N-[[3-(2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide
SMILESCOc1ccccc1-c1n[nH]c(CNC(=O)c2cc(F)ccc2OC(F)F)n1
InChIInChI=1S/C18H15F3N4O3/c1-27-13-5-3-2-4-11(13)16-23-15(24-25-16)9-22-17(26)12-8-10(19)6-7-14(12)28-18(20)21/h2-8,18H,9H2,1H3,(H,22,26)(H,23,24,25)
InChIKeyAYHXIMQASNZSHI-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)-5-fluoro-N-[[3-(2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide?
The IUPAC name of 2-(difluoromethoxy)-5-fluoro-N-[[3-(2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide (CID 156565658) is 2-(difluoromethoxy)-5-fluoro-N-[[3-(2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide.
What is the SMILES notation for 2-(difluoromethoxy)-5-fluoro-N-[[3-(2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide?
The canonical SMILES for 2-(difluoromethoxy)-5-fluoro-N-[[3-(2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide is COc1ccccc1-c1n[nH]c(CNC(=O)c2cc(F)ccc2OC(F)F)n1.
What is the InChIKey of 2-(difluoromethoxy)-5-fluoro-N-[[3-(2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide?
The InChIKey is AYHXIMQASNZSHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N4O3/c1-27-13-5-3-2-4-11(13)16-23-15(24-25-16)9-22-17(26)12-8-10(19)6-7-14(12)28-18(20)21/h2-8,18H,9H2,1H3,(H,22,26)(H,23,24,25).
What are the key properties of 2-(difluoromethoxy)-5-fluoro-N-[[3-(2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide?
2-(difluoromethoxy)-5-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)-5-fluoro-N-[[3-(2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide is sourced from PubChem (CID 156565658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).