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

C18H15F3N4O3 — CID 156574608

IUPAC2-(difluoromethoxy)-N-[[3-(5-fluoro-2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide
SMILESCOc1ccc(F)cc1-c1n[nH]c(CNC(=O)c2ccccc2OC(F)F)n1
InChIInChI=1S/C18H15F3N4O3/c1-27-13-7-6-10(19)8-12(13)16-23-15(24-25-16)9-22-17(26)11-4-2-3-5-14(11)28-18(20)21/h2-8,18H,9H2,1H3,(H,22,26)(H,23,24,25)
InChIKeyQFWSRIWWOSYPKL-UHFFFAOYSA-N
MW392.34 g/mol
LogP3.15
Rot. Bonds7

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

2-(difluoromethoxy)-N-[[3-(5-fluoro-2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide (PubChem CID 156574608) has the molecular formula C18H15F3N4O3 and a molecular weight of 392.34 g/mol. Its IUPAC name is 2-(difluoromethoxy)-N-[[3-(5-fluoro-2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide.

Molecular Properties

Compound Name2-(difluoromethoxy)-N-[[3-(5-fluoro-2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide
PubChem CID156574608
Molecular FormulaC18H15F3N4O3
Molecular Weight392.34 g/mol
Exact Mass392.11
IUPAC Name2-(difluoromethoxy)-N-[[3-(5-fluoro-2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide
SMILESCOc1ccc(F)cc1-c1n[nH]c(CNC(=O)c2ccccc2OC(F)F)n1
InChIInChI=1S/C18H15F3N4O3/c1-27-13-7-6-10(19)8-12(13)16-23-15(24-25-16)9-22-17(26)11-4-2-3-5-14(11)28-18(20)21/h2-8,18H,9H2,1H3,(H,22,26)(H,23,24,25)
InChIKeyQFWSRIWWOSYPKL-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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Related Compounds

2-(difluoromethoxy)-N-[[3-(2-hydroxy-3-methylphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide
CID 163534666
[3-(5-fluoro-2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methanamine;N-[[3-(5-fluoro-2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide;methane;2-(trifluoromethoxy)benzoic acid;hydrochloride
CID 159899199
5-cyano-2-(difluoromethoxy)-N-[[3-(2-methoxy-4-methylphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide
CID 166710376
4-amino-N-[[3-(2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide
CID 82569643
N-(cyanomethyl)-2-(difluoromethoxy)benzamide;2-(difluoromethoxy)-N-[[3-(2-hydroxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide;2-hydroxybenzohydrazide;2-hydroxybenzoic acid;methyl 2-hydroxybenzoate
CID 160535179
(E,2E)-3-(difluoromethoxy)-N-[[3-(2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-2-[(methylideneamino)methylidene]pent-3-enamide
CID 166651953
2-(difluoromethoxy)-N-ethylbenzamide
CID 60644731
[2-(difluoromethoxy)phenyl]-(5-fluoro-2-methoxyphenyl)methanone
CID 43339634
difluoromethyl (E)-N-ethenyl-2-[[3-(2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methylcarbamoyl]but-2-enimidate
CID 166651909
N-benzyl-2-(difluoromethoxy)benzamide
CID 40548463
2-(difluoromethoxy)-N-[(4-propan-2-yl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]benzamide
CID 95174171
2-(difluoromethoxy)-N-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]benzamide
CID 9240904

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-N-[[3-(5-fluoro-2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide?
The IUPAC name of 2-(difluoromethoxy)-N-[[3-(5-fluoro-2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide (CID 156574608) is 2-(difluoromethoxy)-N-[[3-(5-fluoro-2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide.
What is the SMILES notation for 2-(difluoromethoxy)-N-[[3-(5-fluoro-2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide?
The canonical SMILES for 2-(difluoromethoxy)-N-[[3-(5-fluoro-2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide is COc1ccc(F)cc1-c1n[nH]c(CNC(=O)c2ccccc2OC(F)F)n1.
What is the InChIKey of 2-(difluoromethoxy)-N-[[3-(5-fluoro-2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide?
The InChIKey is QFWSRIWWOSYPKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N4O3/c1-27-13-7-6-10(19)8-12(13)16-23-15(24-25-16)9-22-17(26)11-4-2-3-5-14(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)-N-[[3-(5-fluoro-2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide?
2-(difluoromethoxy)-N-[[3-(5-fluoro-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)-N-[[3-(5-fluoro-2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide is sourced from PubChem (CID 156574608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).