2-fluoro-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]-2-pyridinyl]benzamide

C21H12F4N2O2 — CID 58487092

IUPAC2-fluoro-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]-2-pyridinyl]benzamide
SMILESO=C(Nc1ccc(-c2c(C(F)(F)F)oc3ccccc23)cn1)c1ccccc1F
InChIInChI=1S/C21H12F4N2O2/c22-15-7-3-1-5-13(15)20(28)27-17-10-9-12(11-26-17)18-14-6-2-4-8-16(14)29-19(18)21(23,24)25/h1-11H,(H,26,27,28)
InChIKeyGWKLFGSSDPNETR-UHFFFAOYSA-N
MW400.33 g/mol
LogP5.91
Rot. Bonds3

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

2-fluoro-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]-2-pyridinyl]benzamide (PubChem CID 58487092) has the molecular formula C21H12F4N2O2 and a molecular weight of 400.33 g/mol. Its IUPAC name is 2-fluoro-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]-2-pyridinyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]-2-pyridinyl]benzamide
PubChem CID58487092
Molecular FormulaC21H12F4N2O2
Molecular Weight400.33 g/mol
Exact Mass400.08
IUPAC Name2-fluoro-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]-2-pyridinyl]benzamide
SMILESO=C(Nc1ccc(-c2c(C(F)(F)F)oc3ccccc23)cn1)c1ccccc1F
InChIInChI=1S/C21H12F4N2O2/c22-15-7-3-1-5-13(15)20(28)27-17-10-9-12(11-26-17)18-14-6-2-4-8-16(14)29-19(18)21(23,24)25/h1-11H,(H,26,27,28)
InChIKeyGWKLFGSSDPNETR-UHFFFAOYSA-N
XLogP5.91
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.33
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]-2-pyridinyl]benzamide?
The IUPAC name of 2-fluoro-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]-2-pyridinyl]benzamide (CID 58487092) is 2-fluoro-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]-2-pyridinyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]-2-pyridinyl]benzamide?
The canonical SMILES for 2-fluoro-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]-2-pyridinyl]benzamide is O=C(Nc1ccc(-c2c(C(F)(F)F)oc3ccccc23)cn1)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]-2-pyridinyl]benzamide?
The InChIKey is GWKLFGSSDPNETR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12F4N2O2/c22-15-7-3-1-5-13(15)20(28)27-17-10-9-12(11-26-17)18-14-6-2-4-8-16(14)29-19(18)21(23,24)25/h1-11H,(H,26,27,28).
What are the key properties of 2-fluoro-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]-2-pyridinyl]benzamide?
2-fluoro-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]-2-pyridinyl]benzamide has a molecular weight of 400.33 g/mol, XLogP of 5.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]-2-pyridinyl]benzamide is sourced from PubChem (CID 58487092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).