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

C22H19F2N3O2 — CID 58487350

IUPAC2,6-difluoro-N-[5-(3,3,6-trimethyl-2H-1-benzofuran-5-yl)pyrazin-2-yl]benzamide
SMILESCc1cc2c(cc1-c1cnc(NC(=O)c3c(F)cccc3F)cn1)C(C)(C)CO2
InChIInChI=1S/C22H19F2N3O2/c1-12-7-18-14(22(2,3)11-29-18)8-13(12)17-9-26-19(10-25-17)27-21(28)20-15(23)5-4-6-16(20)24/h4-10H,11H2,1-3H3,(H,26,27,28)
InChIKeyYELYZNBTAUTLMY-UHFFFAOYSA-N
MW395.41 g/mol
LogP4.65
Rot. Bonds3

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

2,6-difluoro-N-[5-(3,3,6-trimethyl-2H-1-benzofuran-5-yl)pyrazin-2-yl]benzamide (PubChem CID 58487350) has the molecular formula C22H19F2N3O2 and a molecular weight of 395.41 g/mol. Its IUPAC name is 2,6-difluoro-N-[5-(3,3,6-trimethyl-2H-1-benzofuran-5-yl)pyrazin-2-yl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[5-(3,3,6-trimethyl-2H-1-benzofuran-5-yl)pyrazin-2-yl]benzamide
PubChem CID58487350
Molecular FormulaC22H19F2N3O2
Molecular Weight395.41 g/mol
Exact Mass395.14
IUPAC Name2,6-difluoro-N-[5-(3,3,6-trimethyl-2H-1-benzofuran-5-yl)pyrazin-2-yl]benzamide
SMILESCc1cc2c(cc1-c1cnc(NC(=O)c3c(F)cccc3F)cn1)C(C)(C)CO2
InChIInChI=1S/C22H19F2N3O2/c1-12-7-18-14(22(2,3)11-29-18)8-13(12)17-9-26-19(10-25-17)27-21(28)20-15(23)5-4-6-16(20)24/h4-10H,11H2,1-3H3,(H,26,27,28)
InChIKeyYELYZNBTAUTLMY-UHFFFAOYSA-N
XLogP4.65
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.41
LogP ≤ 54.65
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-(3,3,6-trimethyl-2H-1-benzofuran-5-yl)pyrazin-2-yl]benzamide?
The IUPAC name of 2,6-difluoro-N-[5-(3,3,6-trimethyl-2H-1-benzofuran-5-yl)pyrazin-2-yl]benzamide (CID 58487350) is 2,6-difluoro-N-[5-(3,3,6-trimethyl-2H-1-benzofuran-5-yl)pyrazin-2-yl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[5-(3,3,6-trimethyl-2H-1-benzofuran-5-yl)pyrazin-2-yl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[5-(3,3,6-trimethyl-2H-1-benzofuran-5-yl)pyrazin-2-yl]benzamide is Cc1cc2c(cc1-c1cnc(NC(=O)c3c(F)cccc3F)cn1)C(C)(C)CO2.
What is the InChIKey of 2,6-difluoro-N-[5-(3,3,6-trimethyl-2H-1-benzofuran-5-yl)pyrazin-2-yl]benzamide?
The InChIKey is YELYZNBTAUTLMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F2N3O2/c1-12-7-18-14(22(2,3)11-29-18)8-13(12)17-9-26-19(10-25-17)27-21(28)20-15(23)5-4-6-16(20)24/h4-10H,11H2,1-3H3,(H,26,27,28).
What are the key properties of 2,6-difluoro-N-[5-(3,3,6-trimethyl-2H-1-benzofuran-5-yl)pyrazin-2-yl]benzamide?
2,6-difluoro-N-[5-(3,3,6-trimethyl-2H-1-benzofuran-5-yl)pyrazin-2-yl]benzamide has a molecular weight of 395.41 g/mol, XLogP of 4.65, 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-(3,3,6-trimethyl-2H-1-benzofuran-5-yl)pyrazin-2-yl]benzamide is sourced from PubChem (CID 58487350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).