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

C21H15F3N2O2 — CID 45178279

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

2,5-difluoro-N-[(5-fluoro-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide (PubChem CID 45178279) has the molecular formula C21H15F3N2O2 and a molecular weight of 384.36 g/mol. Its IUPAC name is 2,5-difluoro-N-[(5-fluoro-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide.

Molecular Properties

• Compound Name: 2,5-difluoro-N-[(5-fluoro-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide
• PubChem CID: 45178279
• Molecular Formula: C21H15F3N2O2
• Molecular Weight: 384.36 g/mol
• Exact Mass: 384.11
• IUPAC Name: 2,5-difluoro-N-[(5-fluoro-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide
• SMILES: O=C(NCC1Cc2cc(F)cc(-c3ccccn3)c2O1)c1cc(F)ccc1F
• InChI: InChI=1S/C21H15F3N2O2/c22-13-4-5-18(24)16(9-13)21(27)26-11-15-8-12-7-14(23)10-17(20(12)28-15)19-3-1-2-6-25-19/h1-7,9-10,15H,8,11H2,(H,26,27)
• InChIKey: ASKKTTHGWFUSIC-UHFFFAOYSA-N
• XLogP: 3.90
• TPSA: 51.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	384.36
LogP ≤ 5	3.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of 2,5-difluoro-N-[(5-fluoro-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide (CID 45178279) is 2,5-difluoro-N-[(5-fluoro-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide.

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

The canonical SMILES for 2,5-difluoro-N-[(5-fluoro-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide is O=C(NCC1Cc2cc(F)cc(-c3ccccn3)c2O1)c1cc(F)ccc1F.

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

The InChIKey is ASKKTTHGWFUSIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F3N2O2/c22-13-4-5-18(24)16(9-13)21(27)26-11-15-8-12-7-14(23)10-17(20(12)28-15)19-3-1-2-6-25-19/h1-7,9-10,15H,8,11H2,(H,26,27).

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

2,5-difluoro-N-[(5-fluoro-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide has a molecular weight of 384.36 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2,5-difluoro-N-[(5-fluoro-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide is sourced from PubChem (CID 45178279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).