2-(2,5-difluorophenyl)-N-[(5-methyl-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]acetamide

C22H19F2N3O2 — CID 45230284

About 2-(2,5-difluorophenyl)-N-[(5-methyl-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]acetamide

2-(2,5-difluorophenyl)-N-[(5-methyl-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]acetamide (PubChem CID 45230284) has the molecular formula C22H19F2N3O2 and a molecular weight of 395.41 g/mol. Its IUPAC name is 2-(2,5-difluorophenyl)-N-[(5-methyl-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]acetamide.

Molecular Properties

• Compound Name: 2-(2,5-difluorophenyl)-N-[(5-methyl-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]acetamide
• PubChem CID: 45230284
• Molecular Formula: C22H19F2N3O2
• Molecular Weight: 395.41 g/mol
• Exact Mass: 395.14
• IUPAC Name: 2-(2,5-difluorophenyl)-N-[(5-methyl-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]acetamide
• SMILES: Cc1cc2c(c(-c3cnccn3)c1)OC(CNC(=O)Cc1cc(F)ccc1F)C2
• InChI: InChI=1S/C22H19F2N3O2/c1-13-6-15-9-17(29-22(15)18(7-13)20-12-25-4-5-26-20)11-27-21(28)10-14-8-16(23)2-3-19(14)24/h2-8,12,17H,9-11H2,1H3,(H,27,28)
• InChIKey: FSYLSOZLPVIDNX-UHFFFAOYSA-N
• XLogP: 3.39
• TPSA: 64.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	395.41
LogP ≤ 5	3.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluorophenyl)-N-[(5-methyl-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]acetamide?

The IUPAC name of 2-(2,5-difluorophenyl)-N-[(5-methyl-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]acetamide (CID 45230284) is 2-(2,5-difluorophenyl)-N-[(5-methyl-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]acetamide.

What is the SMILES notation for 2-(2,5-difluorophenyl)-N-[(5-methyl-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]acetamide?

The canonical SMILES for 2-(2,5-difluorophenyl)-N-[(5-methyl-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]acetamide is Cc1cc2c(c(-c3cnccn3)c1)OC(CNC(=O)Cc1cc(F)ccc1F)C2.

What is the InChIKey of 2-(2,5-difluorophenyl)-N-[(5-methyl-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]acetamide?

The InChIKey is FSYLSOZLPVIDNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F2N3O2/c1-13-6-15-9-17(29-22(15)18(7-13)20-12-25-4-5-26-20)11-27-21(28)10-14-8-16(23)2-3-19(14)24/h2-8,12,17H,9-11H2,1H3,(H,27,28).

What are the key properties of 2-(2,5-difluorophenyl)-N-[(5-methyl-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]acetamide?

2-(2,5-difluorophenyl)-N-[(5-methyl-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]acetamide has a molecular weight of 395.41 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,5-difluorophenyl)-N-[(5-methyl-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]acetamide is sourced from PubChem (CID 45230284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).