2-fluoro-N-[4-[[5-fluoro-2-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide

C19H11F5N2O2 — CID 90393813

IUPAC2-fluoro-N-[4-[[5-fluoro-2-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide
SMILESO=C(Nc1ccc(Oc2cc(F)cnc2C(F)(F)F)cc1)c1ccccc1F
InChIInChI=1S/C19H11F5N2O2/c20-11-9-16(17(25-10-11)19(22,23)24)28-13-7-5-12(6-8-13)26-18(27)14-3-1-2-4-15(14)21/h1-10H,(H,26,27)
InChIKeyXGTBBXNBHNOPMQ-UHFFFAOYSA-N
MW394.30 g/mol
LogP5.42
Rot. Bonds4

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

2-fluoro-N-[4-[[5-fluoro-2-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide (PubChem CID 90393813) has the molecular formula C19H11F5N2O2 and a molecular weight of 394.30 g/mol. Its IUPAC name is 2-fluoro-N-[4-[[5-fluoro-2-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[4-[[5-fluoro-2-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide
PubChem CID90393813
Molecular FormulaC19H11F5N2O2
Molecular Weight394.30 g/mol
Exact Mass394.07
IUPAC Name2-fluoro-N-[4-[[5-fluoro-2-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide
SMILESO=C(Nc1ccc(Oc2cc(F)cnc2C(F)(F)F)cc1)c1ccccc1F
InChIInChI=1S/C19H11F5N2O2/c20-11-9-16(17(25-10-11)19(22,23)24)28-13-7-5-12(6-8-13)26-18(27)14-3-1-2-4-15(14)21/h1-10H,(H,26,27)
InChIKeyXGTBBXNBHNOPMQ-UHFFFAOYSA-N
XLogP5.42
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.30
LogP ≤ 55.42
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-(4-methylphenoxy)phenyl]benzamide
CID 759350
2,6-difluoro-3-methyl-N-[4-[[5-methyl-2-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide
CID 90393844
2-fluoro-N-(4-quinolin-4-yloxyphenyl)-5-(trifluoromethyl)benzamide
CID 53329942
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-(2-methoxyethoxy)phenyl]benzamide
CID 17340482
2-fluoro-N-[4-(4-nitrophenoxy)phenyl]benzamide
CID 23733524
2-fluoro-N-[4-[2-fluoro-6-(trifluoromethyl)phenyl]phenyl]benzamide
CID 151067192
2-fluoro-N-[4-[4-fluoro-2-(trifluoromethyl)anilino]phenyl]benzamide
CID 90396008
2-fluoro-N-[4-methyl-3-(trifluoromethyl)phenyl]benzamide
CID 24583903
2-fluoro-N-[4-[(4-methoxybenzoyl)amino]phenyl]benzamide
CID 1287432
2-fluoro-N-[2-oxo-2-(4-phenoxyanilino)ethyl]benzamide
CID 9413646

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[4-[[5-fluoro-2-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide?
The IUPAC name of 2-fluoro-N-[4-[[5-fluoro-2-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide (CID 90393813) is 2-fluoro-N-[4-[[5-fluoro-2-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[4-[[5-fluoro-2-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide?
The canonical SMILES for 2-fluoro-N-[4-[[5-fluoro-2-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide is O=C(Nc1ccc(Oc2cc(F)cnc2C(F)(F)F)cc1)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[4-[[5-fluoro-2-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide?
The InChIKey is XGTBBXNBHNOPMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11F5N2O2/c20-11-9-16(17(25-10-11)19(22,23)24)28-13-7-5-12(6-8-13)26-18(27)14-3-1-2-4-15(14)21/h1-10H,(H,26,27).
What are the key properties of 2-fluoro-N-[4-[[5-fluoro-2-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide?
2-fluoro-N-[4-[[5-fluoro-2-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide has a molecular weight of 394.30 g/mol, XLogP of 5.42, 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-2-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide is sourced from PubChem (CID 90393813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).