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

C18H16F2N4O3 — CID 156565671

IUPAC2-(difluoromethoxy)-N-[[3-(2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide
SMILESCOc1ccccc1-c1n[nH]c(CNC(=O)c2ccccc2OC(F)F)n1
InChIInChI=1S/C18H16F2N4O3/c1-26-13-8-4-2-6-11(13)16-22-15(23-24-16)10-21-17(25)12-7-3-5-9-14(12)27-18(19)20/h2-9,18H,10H2,1H3,(H,21,25)(H,22,23,24)
InChIKeyFZHIMYJNBJNVJX-UHFFFAOYSA-N
MW374.35 g/mol
LogP3.01
Rot. Bonds7

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

2-(difluoromethoxy)-N-[[3-(2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide (PubChem CID 156565671) has the molecular formula C18H16F2N4O3 and a molecular weight of 374.35 g/mol. Its IUPAC name is 2-(difluoromethoxy)-N-[[3-(2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide.

Molecular Properties

Compound Name2-(difluoromethoxy)-N-[[3-(2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide
PubChem CID156565671
Molecular FormulaC18H16F2N4O3
Molecular Weight374.35 g/mol
Exact Mass374.12
IUPAC Name2-(difluoromethoxy)-N-[[3-(2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide
SMILESCOc1ccccc1-c1n[nH]c(CNC(=O)c2ccccc2OC(F)F)n1
InChIInChI=1S/C18H16F2N4O3/c1-26-13-8-4-2-6-11(13)16-22-15(23-24-16)10-21-17(25)12-7-3-5-9-14(12)27-18(19)20/h2-9,18H,10H2,1H3,(H,21,25)(H,22,23,24)
InChIKeyFZHIMYJNBJNVJX-UHFFFAOYSA-N
XLogP3.01
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.35
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-N-[[3-(2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide?
The IUPAC name of 2-(difluoromethoxy)-N-[[3-(2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide (CID 156565671) is 2-(difluoromethoxy)-N-[[3-(2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide.
What is the SMILES notation for 2-(difluoromethoxy)-N-[[3-(2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide?
The canonical SMILES for 2-(difluoromethoxy)-N-[[3-(2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide is COc1ccccc1-c1n[nH]c(CNC(=O)c2ccccc2OC(F)F)n1.
What is the InChIKey of 2-(difluoromethoxy)-N-[[3-(2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide?
The InChIKey is FZHIMYJNBJNVJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N4O3/c1-26-13-8-4-2-6-11(13)16-22-15(23-24-16)10-21-17(25)12-7-3-5-9-14(12)27-18(19)20/h2-9,18H,10H2,1H3,(H,21,25)(H,22,23,24).
What are the key properties of 2-(difluoromethoxy)-N-[[3-(2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide?
2-(difluoromethoxy)-N-[[3-(2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide has a molecular weight of 374.35 g/mol, XLogP of 3.01, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-N-[[3-(2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide is sourced from PubChem (CID 156565671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).