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

C20H11F4N3O2 — CID 58486636

IUPAC2-fluoro-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]pyrazin-2-yl]benzamide
SMILESO=C(Nc1cnc(-c2c(C(F)(F)F)oc3ccccc23)cn1)c1ccccc1F
InChIInChI=1S/C20H11F4N3O2/c21-13-7-3-1-5-11(13)19(28)27-16-10-25-14(9-26-16)17-12-6-2-4-8-15(12)29-18(17)20(22,23)24/h1-10H,(H,26,27,28)
InChIKeyJRKMUNQWNJCJSU-UHFFFAOYSA-N
MW401.32 g/mol
LogP5.30
Rot. Bonds3

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

2-fluoro-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]pyrazin-2-yl]benzamide (PubChem CID 58486636) has the molecular formula C20H11F4N3O2 and a molecular weight of 401.32 g/mol. Its IUPAC name is 2-fluoro-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]pyrazin-2-yl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]pyrazin-2-yl]benzamide
PubChem CID58486636
Molecular FormulaC20H11F4N3O2
Molecular Weight401.32 g/mol
Exact Mass401.08
IUPAC Name2-fluoro-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]pyrazin-2-yl]benzamide
SMILESO=C(Nc1cnc(-c2c(C(F)(F)F)oc3ccccc23)cn1)c1ccccc1F
InChIInChI=1S/C20H11F4N3O2/c21-13-7-3-1-5-11(13)19(28)27-16-10-25-14(9-26-16)17-12-6-2-4-8-15(12)29-18(17)20(22,23)24/h1-10H,(H,26,27,28)
InChIKeyJRKMUNQWNJCJSU-UHFFFAOYSA-N
XLogP5.30
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.32
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]pyrazin-2-yl]benzamide?
The IUPAC name of 2-fluoro-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]pyrazin-2-yl]benzamide (CID 58486636) is 2-fluoro-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]pyrazin-2-yl]benzamide.
What is the SMILES notation for 2-fluoro-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]pyrazin-2-yl]benzamide?
The canonical SMILES for 2-fluoro-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]pyrazin-2-yl]benzamide is O=C(Nc1cnc(-c2c(C(F)(F)F)oc3ccccc23)cn1)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]pyrazin-2-yl]benzamide?
The InChIKey is JRKMUNQWNJCJSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11F4N3O2/c21-13-7-3-1-5-11(13)19(28)27-16-10-25-14(9-26-16)17-12-6-2-4-8-15(12)29-18(17)20(22,23)24/h1-10H,(H,26,27,28).
What are the key properties of 2-fluoro-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]pyrazin-2-yl]benzamide?
2-fluoro-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]pyrazin-2-yl]benzamide has a molecular weight of 401.32 g/mol, XLogP of 5.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]pyrazin-2-yl]benzamide is sourced from PubChem (CID 58486636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).