2,6-difluoro-3-methyl-N-[4-[[5-methyl-2-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide

C21H15F5N2O2 — CID 90393844

IUPAC2,6-difluoro-3-methyl-N-[4-[[5-methyl-2-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide
SMILESCc1cnc(C(F)(F)F)c(Oc2ccc(NC(=O)c3c(F)ccc(C)c3F)cc2)c1
InChIInChI=1S/C21H15F5N2O2/c1-11-9-16(19(27-10-11)21(24,25)26)30-14-6-4-13(5-7-14)28-20(29)17-15(22)8-3-12(2)18(17)23/h3-10H,1-2H3,(H,28,29)
InChIKeyVNZDNZPXLLCZFE-UHFFFAOYSA-N
MW422.35 g/mol
LogP6.04
Rot. Bonds4

About 2,6-difluoro-3-methyl-N-[4-[[5-methyl-2-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide

2,6-difluoro-3-methyl-N-[4-[[5-methyl-2-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide (PubChem CID 90393844) has the molecular formula C21H15F5N2O2 and a molecular weight of 422.35 g/mol. Its IUPAC name is 2,6-difluoro-3-methyl-N-[4-[[5-methyl-2-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-3-methyl-N-[4-[[5-methyl-2-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide
PubChem CID90393844
Molecular FormulaC21H15F5N2O2
Molecular Weight422.35 g/mol
Exact Mass422.11
IUPAC Name2,6-difluoro-3-methyl-N-[4-[[5-methyl-2-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide
SMILESCc1cnc(C(F)(F)F)c(Oc2ccc(NC(=O)c3c(F)ccc(C)c3F)cc2)c1
InChIInChI=1S/C21H15F5N2O2/c1-11-9-16(19(27-10-11)21(24,25)26)30-14-6-4-13(5-7-14)28-20(29)17-15(22)8-3-12(2)18(17)23/h3-10H,1-2H3,(H,28,29)
InChIKeyVNZDNZPXLLCZFE-UHFFFAOYSA-N
XLogP6.04
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.35
LogP ≤ 56.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-difluoro-N-[4-[[5-fluoro-2-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]-6-methylbenzamide
CID 90395944
2-fluoro-N-[4-[[5-fluoro-2-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide
CID 90393813
2,3-difluoro-6-methyl-N-[4-[[4-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide
CID 90395990
2,6-difluoro-N-[4-[[5-fluoro-2-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide;2,6-difluoro-N-[4-[[5-fluoro-3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]benzamide;2,6-difluoro-N-[4-[[5-fluoro-2-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]-4-methylbenzamide;2,6-difluoro-N-[4-[[5-fluoro-3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-4-methylbenzamide;2,6-difluoro-4-methyl-N-[4-[[6-methyl-3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]benzamide;2,6-difluoro-4-methyl-N-[4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]benzamide;2,6-difluoro-N-[4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]benzamide
CID 161214843
2-fluoro-N-[4-[[5-fluoro-3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-4,6-dimethylbenzamide
CID 90393826
2,6-difluoro-3-methyl-N-(1H-pyrazol-4-yl)benzamide
CID 82816091
N-[4-(bromomethyl)phenyl]-2,6-difluoro-3-methylbenzamide
CID 82819010
2,6-difluoro-N-[3-(1-hydroxyethyl)phenyl]-3-methylbenzamide
CID 82798846
N-(5-bromo-4-methyl-2-pyridinyl)-2,6-difluoro-3-methylbenzamide
CID 82814313
3-[(2,6-difluoro-3-methylbenzoyl)amino]benzoic acid
CID 82798153
2-fluoro-3-methyl-N-(2-oxidopyridazin-2-ium-4-yl)-6-[4-(trifluoromethoxy)phenoxy]benzamide
CID 170241447
N-[4-(cyanomethyl)phenyl]-2,6-difluoro-3-methylbenzamide
CID 82797666

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-3-methyl-N-[4-[[5-methyl-2-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide?
The IUPAC name of 2,6-difluoro-3-methyl-N-[4-[[5-methyl-2-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide (CID 90393844) is 2,6-difluoro-3-methyl-N-[4-[[5-methyl-2-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide.
What is the SMILES notation for 2,6-difluoro-3-methyl-N-[4-[[5-methyl-2-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide?
The canonical SMILES for 2,6-difluoro-3-methyl-N-[4-[[5-methyl-2-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide is Cc1cnc(C(F)(F)F)c(Oc2ccc(NC(=O)c3c(F)ccc(C)c3F)cc2)c1.
What is the InChIKey of 2,6-difluoro-3-methyl-N-[4-[[5-methyl-2-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide?
The InChIKey is VNZDNZPXLLCZFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F5N2O2/c1-11-9-16(19(27-10-11)21(24,25)26)30-14-6-4-13(5-7-14)28-20(29)17-15(22)8-3-12(2)18(17)23/h3-10H,1-2H3,(H,28,29).
What are the key properties of 2,6-difluoro-3-methyl-N-[4-[[5-methyl-2-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide?
2,6-difluoro-3-methyl-N-[4-[[5-methyl-2-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide has a molecular weight of 422.35 g/mol, XLogP of 6.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-3-methyl-N-[4-[[5-methyl-2-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide is sourced from PubChem (CID 90393844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).