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

C18H14F4N4O3 — CID 156565679

IUPAC2-(difluoromethoxy)-3-fluoro-N-[[3-(5-fluoro-2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide
SMILESCOc1ccc(F)cc1-c1n[nH]c(CNC(=O)c2cccc(F)c2OC(F)F)n1
InChIInChI=1S/C18H14F4N4O3/c1-28-13-6-5-9(19)7-11(13)16-24-14(25-26-16)8-23-17(27)10-3-2-4-12(20)15(10)29-18(21)22/h2-7,18H,8H2,1H3,(H,23,27)(H,24,25,26)
InChIKeyIOJNANSWYXVDQZ-UHFFFAOYSA-N
MW410.33 g/mol
LogP3.29
Rot. Bonds7

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

2-(difluoromethoxy)-3-fluoro-N-[[3-(5-fluoro-2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide (PubChem CID 156565679) has the molecular formula C18H14F4N4O3 and a molecular weight of 410.33 g/mol. Its IUPAC name is 2-(difluoromethoxy)-3-fluoro-N-[[3-(5-fluoro-2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide.

Molecular Properties

Compound Name2-(difluoromethoxy)-3-fluoro-N-[[3-(5-fluoro-2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide
PubChem CID156565679
Molecular FormulaC18H14F4N4O3
Molecular Weight410.33 g/mol
Exact Mass410.10
IUPAC Name2-(difluoromethoxy)-3-fluoro-N-[[3-(5-fluoro-2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide
SMILESCOc1ccc(F)cc1-c1n[nH]c(CNC(=O)c2cccc(F)c2OC(F)F)n1
InChIInChI=1S/C18H14F4N4O3/c1-28-13-6-5-9(19)7-11(13)16-24-14(25-26-16)8-23-17(27)10-3-2-4-12(20)15(10)29-18(21)22/h2-7,18H,8H2,1H3,(H,23,27)(H,24,25,26)
InChIKeyIOJNANSWYXVDQZ-UHFFFAOYSA-N
XLogP3.29
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.33
LogP ≤ 53.29
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-(5-fluoro-2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide?
The IUPAC name of 2-(difluoromethoxy)-3-fluoro-N-[[3-(5-fluoro-2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide (CID 156565679) is 2-(difluoromethoxy)-3-fluoro-N-[[3-(5-fluoro-2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide.
What is the SMILES notation for 2-(difluoromethoxy)-3-fluoro-N-[[3-(5-fluoro-2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide?
The canonical SMILES for 2-(difluoromethoxy)-3-fluoro-N-[[3-(5-fluoro-2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide is COc1ccc(F)cc1-c1n[nH]c(CNC(=O)c2cccc(F)c2OC(F)F)n1.
What is the InChIKey of 2-(difluoromethoxy)-3-fluoro-N-[[3-(5-fluoro-2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide?
The InChIKey is IOJNANSWYXVDQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F4N4O3/c1-28-13-6-5-9(19)7-11(13)16-24-14(25-26-16)8-23-17(27)10-3-2-4-12(20)15(10)29-18(21)22/h2-7,18H,8H2,1H3,(H,23,27)(H,24,25,26).
What are the key properties of 2-(difluoromethoxy)-3-fluoro-N-[[3-(5-fluoro-2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide?
2-(difluoromethoxy)-3-fluoro-N-[[3-(5-fluoro-2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide has a molecular weight of 410.33 g/mol, XLogP of 3.29, 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-(5-fluoro-2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide is sourced from PubChem (CID 156565679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).