2-fluoro-N-[4-[[5-fluoro-3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-4,6-dimethylbenzamide

C21H15F5N2O2 — CID 90393826

IUPAC2-fluoro-N-[4-[[5-fluoro-3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-4,6-dimethylbenzamide
SMILESCc1cc(C)c(C(=O)Nc2ccc(Oc3ncc(F)cc3C(F)(F)F)cc2)c(F)c1
InChIInChI=1S/C21H15F5N2O2/c1-11-7-12(2)18(17(23)8-11)19(29)28-14-3-5-15(6-4-14)30-20-16(21(24,25)26)9-13(22)10-27-20/h3-10H,1-2H3,(H,28,29)
InChIKeyHNAFCDZOTFFRNO-UHFFFAOYSA-N
MW422.35 g/mol
LogP6.04
Rot. Bonds4

About 2-fluoro-N-[4-[[5-fluoro-3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-4,6-dimethylbenzamide

2-fluoro-N-[4-[[5-fluoro-3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-4,6-dimethylbenzamide (PubChem CID 90393826) has the molecular formula C21H15F5N2O2 and a molecular weight of 422.35 g/mol. Its IUPAC name is 2-fluoro-N-[4-[[5-fluoro-3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-4,6-dimethylbenzamide.

Molecular Properties

Compound Name2-fluoro-N-[4-[[5-fluoro-3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-4,6-dimethylbenzamide
PubChem CID90393826
Molecular FormulaC21H15F5N2O2
Molecular Weight422.35 g/mol
Exact Mass422.11
IUPAC Name2-fluoro-N-[4-[[5-fluoro-3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-4,6-dimethylbenzamide
SMILESCc1cc(C)c(C(=O)Nc2ccc(Oc3ncc(F)cc3C(F)(F)F)cc2)c(F)c1
InChIInChI=1S/C21H15F5N2O2/c1-11-7-12(2)18(17(23)8-11)19(29)28-14-3-5-15(6-4-14)30-20-16(21(24,25)26)9-13(22)10-27-20/h3-10H,1-2H3,(H,28,29)
InChIKeyHNAFCDZOTFFRNO-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

2,6-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
2,3-difluoro-N-[4-[[5-fluoro-2-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]-6-methylbenzamide
CID 90395944
2,3-difluoro-6-methyl-N-[4-[[4-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide
CID 90395990
2,6-difluoro-3-methyl-N-[4-[[5-methyl-2-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide
CID 90393844
N-[4-chloro-3-(trifluoromethyl)phenyl]-2,4,6-trimethylbenzamide
CID 17168215
N-[4-bromo-3-(trifluoromethyl)phenyl]-2,4,6-trimethylbenzamide
CID 2421792
2-[(6-fluoro-2-methyl-3-pyridinyl)oxy]-N-(4-fluorophenyl)-4-methyl-5-(trifluoromethyl)pyridine-3-carboxamide
CID 171071979
5-fluoro-3-methyl-N-[4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine
CID 46834368
2-fluoro-N-[4-[[5-fluoro-2-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide
CID 90393813
N-(4-fluorophenyl)-5-methyl-2-(trifluoromethyl)benzamide
CID 122630182
1-[5-fluoro-2-(4-fluorophenoxy)-3-pyridinyl]ethanone
CID 142274002
5-fluoro-2-(4-fluorophenoxy)-N-methylpyridine-3-carboxamide
CID 142274034

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[4-[[5-fluoro-3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-4,6-dimethylbenzamide?
The IUPAC name of 2-fluoro-N-[4-[[5-fluoro-3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-4,6-dimethylbenzamide (CID 90393826) is 2-fluoro-N-[4-[[5-fluoro-3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-4,6-dimethylbenzamide.
What is the SMILES notation for 2-fluoro-N-[4-[[5-fluoro-3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-4,6-dimethylbenzamide?
The canonical SMILES for 2-fluoro-N-[4-[[5-fluoro-3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-4,6-dimethylbenzamide is Cc1cc(C)c(C(=O)Nc2ccc(Oc3ncc(F)cc3C(F)(F)F)cc2)c(F)c1.
What is the InChIKey of 2-fluoro-N-[4-[[5-fluoro-3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-4,6-dimethylbenzamide?
The InChIKey is HNAFCDZOTFFRNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F5N2O2/c1-11-7-12(2)18(17(23)8-11)19(29)28-14-3-5-15(6-4-14)30-20-16(21(24,25)26)9-13(22)10-27-20/h3-10H,1-2H3,(H,28,29).
What are the key properties of 2-fluoro-N-[4-[[5-fluoro-3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-4,6-dimethylbenzamide?
2-fluoro-N-[4-[[5-fluoro-3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-4,6-dimethylbenzamide 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-fluoro-N-[4-[[5-fluoro-3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-4,6-dimethylbenzamide is sourced from PubChem (CID 90393826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).