2,6-difluoro-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]-2-pyridinyl]benzamide

C21H11F5N2O2 — CID 58487236

IUPAC2,6-difluoro-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]-2-pyridinyl]benzamide
SMILESO=C(Nc1ccc(-c2c(C(F)(F)F)oc3ccccc23)cn1)c1c(F)cccc1F
InChIInChI=1S/C21H11F5N2O2/c22-13-5-3-6-14(23)18(13)20(29)28-16-9-8-11(10-27-16)17-12-4-1-2-7-15(12)30-19(17)21(24,25)26/h1-10H,(H,27,28,29)
InChIKeyTZGVSWROSATAAX-UHFFFAOYSA-N
MW418.32 g/mol
LogP6.04
Rot. Bonds3

About 2,6-difluoro-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]-2-pyridinyl]benzamide

2,6-difluoro-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]-2-pyridinyl]benzamide (PubChem CID 58487236) has the molecular formula C21H11F5N2O2 and a molecular weight of 418.32 g/mol. Its IUPAC name is 2,6-difluoro-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]-2-pyridinyl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]-2-pyridinyl]benzamide
PubChem CID58487236
Molecular FormulaC21H11F5N2O2
Molecular Weight418.32 g/mol
Exact Mass418.07
IUPAC Name2,6-difluoro-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]-2-pyridinyl]benzamide
SMILESO=C(Nc1ccc(-c2c(C(F)(F)F)oc3ccccc23)cn1)c1c(F)cccc1F
InChIInChI=1S/C21H11F5N2O2/c22-13-5-3-6-14(23)18(13)20(29)28-16-9-8-11(10-27-16)17-12-4-1-2-7-15(12)30-19(17)21(24,25)26/h1-10H,(H,27,28,29)
InChIKeyTZGVSWROSATAAX-UHFFFAOYSA-N
XLogP6.04
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.32
LogP ≤ 56.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]-2-pyridinyl]benzamide?
The IUPAC name of 2,6-difluoro-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]-2-pyridinyl]benzamide (CID 58487236) is 2,6-difluoro-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]-2-pyridinyl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]-2-pyridinyl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]-2-pyridinyl]benzamide is O=C(Nc1ccc(-c2c(C(F)(F)F)oc3ccccc23)cn1)c1c(F)cccc1F.
What is the InChIKey of 2,6-difluoro-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]-2-pyridinyl]benzamide?
The InChIKey is TZGVSWROSATAAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H11F5N2O2/c22-13-5-3-6-14(23)18(13)20(29)28-16-9-8-11(10-27-16)17-12-4-1-2-7-15(12)30-19(17)21(24,25)26/h1-10H,(H,27,28,29).
What are the key properties of 2,6-difluoro-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]-2-pyridinyl]benzamide?
2,6-difluoro-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]-2-pyridinyl]benzamide has a molecular weight of 418.32 g/mol, XLogP of 6.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]-2-pyridinyl]benzamide is sourced from PubChem (CID 58487236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).