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

C20H10F5N3O2 — CID 58486773

IUPAC2,6-difluoro-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]pyrazin-2-yl]benzamide
SMILESO=C(Nc1cnc(-c2c(C(F)(F)F)oc3ccccc23)cn1)c1c(F)cccc1F
InChIInChI=1S/C20H10F5N3O2/c21-11-5-3-6-12(22)17(11)19(29)28-15-9-26-13(8-27-15)16-10-4-1-2-7-14(10)30-18(16)20(23,24)25/h1-9H,(H,27,28,29)
InChIKeyYELYHXORNBNBRL-UHFFFAOYSA-N
MW419.31 g/mol
LogP5.44
Rot. Bonds3

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

2,6-difluoro-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]pyrazin-2-yl]benzamide (PubChem CID 58486773) has the molecular formula C20H10F5N3O2 and a molecular weight of 419.31 g/mol. Its IUPAC name is 2,6-difluoro-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]pyrazin-2-yl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]pyrazin-2-yl]benzamide
PubChem CID58486773
Molecular FormulaC20H10F5N3O2
Molecular Weight419.31 g/mol
Exact Mass419.07
IUPAC Name2,6-difluoro-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]pyrazin-2-yl]benzamide
SMILESO=C(Nc1cnc(-c2c(C(F)(F)F)oc3ccccc23)cn1)c1c(F)cccc1F
InChIInChI=1S/C20H10F5N3O2/c21-11-5-3-6-12(22)17(11)19(29)28-15-9-26-13(8-27-15)16-10-4-1-2-7-14(10)30-18(16)20(23,24)25/h1-9H,(H,27,28,29)
InChIKeyYELYHXORNBNBRL-UHFFFAOYSA-N
XLogP5.44
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.31
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]pyrazin-2-yl]benzamide?
The IUPAC name of 2,6-difluoro-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]pyrazin-2-yl]benzamide (CID 58486773) is 2,6-difluoro-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]pyrazin-2-yl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]pyrazin-2-yl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]pyrazin-2-yl]benzamide is O=C(Nc1cnc(-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]pyrazin-2-yl]benzamide?
The InChIKey is YELYHXORNBNBRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H10F5N3O2/c21-11-5-3-6-12(22)17(11)19(29)28-15-9-26-13(8-27-15)16-10-4-1-2-7-14(10)30-18(16)20(23,24)25/h1-9H,(H,27,28,29).
What are the key properties of 2,6-difluoro-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]pyrazin-2-yl]benzamide?
2,6-difluoro-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]pyrazin-2-yl]benzamide has a molecular weight of 419.31 g/mol, XLogP of 5.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[5-[2-(trifluoromethyl)-1-benzofuran-3-yl]pyrazin-2-yl]benzamide is sourced from PubChem (CID 58486773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).