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

C21H17FN2O2 — CID 45168534

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

N-[(5-fluoro-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide (PubChem CID 45168534) has the molecular formula C21H17FN2O2 and a molecular weight of 348.38 g/mol. Its IUPAC name is N-[(5-fluoro-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide.

Molecular Properties

• Compound Name: N-[(5-fluoro-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide
• PubChem CID: 45168534
• Molecular Formula: C21H17FN2O2
• Molecular Weight: 348.38 g/mol
• Exact Mass: 348.13
• IUPAC Name: N-[(5-fluoro-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide
• SMILES: O=C(NCC1Cc2cc(F)cc(-c3ccccn3)c2O1)c1ccccc1
• InChI: InChI=1S/C21H17FN2O2/c22-16-10-15-11-17(13-24-21(25)14-6-2-1-3-7-14)26-20(15)18(12-16)19-8-4-5-9-23-19/h1-10,12,17H,11,13H2,(H,24,25)
• InChIKey: DPZRHGGPDYWEJX-UHFFFAOYSA-N
• XLogP: 3.62
• TPSA: 51.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	348.38
LogP ≤ 5	3.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of N-[(5-fluoro-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide (CID 45168534) is N-[(5-fluoro-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide.

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

The canonical SMILES for N-[(5-fluoro-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide is O=C(NCC1Cc2cc(F)cc(-c3ccccn3)c2O1)c1ccccc1.

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

The InChIKey is DPZRHGGPDYWEJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN2O2/c22-16-10-15-11-17(13-24-21(25)14-6-2-1-3-7-14)26-20(15)18(12-16)19-8-4-5-9-23-19/h1-10,12,17H,11,13H2,(H,24,25).

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

N-[(5-fluoro-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide has a molecular weight of 348.38 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(5-fluoro-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide is sourced from PubChem (CID 45168534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).