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

C22H17F3N2O2 — CID 45178081

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

2-(2,3-difluorophenyl)-N-[(5-fluoro-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]acetamide (PubChem CID 45178081) has the molecular formula C22H17F3N2O2 and a molecular weight of 398.38 g/mol. Its IUPAC name is 2-(2,3-difluorophenyl)-N-[(5-fluoro-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]acetamide.

Molecular Properties

• Compound Name: 2-(2,3-difluorophenyl)-N-[(5-fluoro-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]acetamide
• PubChem CID: 45178081
• Molecular Formula: C22H17F3N2O2
• Molecular Weight: 398.38 g/mol
• Exact Mass: 398.12
• IUPAC Name: 2-(2,3-difluorophenyl)-N-[(5-fluoro-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]acetamide
• SMILES: O=C(Cc1cccc(F)c1F)NCC1Cc2cc(F)cc(-c3ccccn3)c2O1
• InChI: InChI=1S/C22H17F3N2O2/c23-15-8-14-9-16(29-22(14)17(11-15)19-6-1-2-7-26-19)12-27-20(28)10-13-4-3-5-18(24)21(13)25/h1-8,11,16H,9-10,12H2,(H,27,28)
• InChIKey: NVHHVUZPTYHQCH-UHFFFAOYSA-N
• XLogP: 3.83
• TPSA: 51.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	398.38
LogP ≤ 5	3.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of 2-(2,3-difluorophenyl)-N-[(5-fluoro-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]acetamide (CID 45178081) is 2-(2,3-difluorophenyl)-N-[(5-fluoro-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]acetamide.

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

The canonical SMILES for 2-(2,3-difluorophenyl)-N-[(5-fluoro-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]acetamide is O=C(Cc1cccc(F)c1F)NCC1Cc2cc(F)cc(-c3ccccn3)c2O1.

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

The InChIKey is NVHHVUZPTYHQCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F3N2O2/c23-15-8-14-9-16(29-22(14)17(11-15)19-6-1-2-7-26-19)12-27-20(28)10-13-4-3-5-18(24)21(13)25/h1-8,11,16H,9-10,12H2,(H,27,28).

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

2-(2,3-difluorophenyl)-N-[(5-fluoro-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]acetamide has a molecular weight of 398.38 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,3-difluorophenyl)-N-[(5-fluoro-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]acetamide is sourced from PubChem (CID 45178081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).