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

C16H13F2NO2 — CID 92756967

About 4-fluoro-N-[[(2S)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]benzamide

4-fluoro-N-[[(2S)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]benzamide (PubChem CID 92756967) has the molecular formula C16H13F2NO2 and a molecular weight of 289.28 g/mol. Its IUPAC name is 4-fluoro-N-[[(2S)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]benzamide.

Molecular Properties

• Compound Name: 4-fluoro-N-[[(2S)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]benzamide
• PubChem CID: 92756967
• Molecular Formula: C16H13F2NO2
• Molecular Weight: 289.28 g/mol
• Exact Mass: 289.09
• IUPAC Name: 4-fluoro-N-[[(2S)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]benzamide
• SMILES: O=C(NC[C@@H]1Cc2cc(F)ccc2O1)c1ccc(F)cc1
• InChI: InChI=1S/C16H13F2NO2/c17-12-3-1-10(2-4-12)16(20)19-9-14-8-11-7-13(18)5-6-15(11)21-14/h1-7,14H,8-9H2,(H,19,20)/t14-/m0/s1
• InChIKey: HUSWNRKPNMFJIY-AWEZNQCLSA-N
• XLogP: 2.70
• TPSA: 38.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	289.28
LogP ≤ 5	2.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[[(2S)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]benzamide?

The IUPAC name of 4-fluoro-N-[[(2S)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]benzamide (CID 92756967) is 4-fluoro-N-[[(2S)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]benzamide.

What is the SMILES notation for 4-fluoro-N-[[(2S)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]benzamide?

The canonical SMILES for 4-fluoro-N-[[(2S)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]benzamide is O=C(NC[C@@H]1Cc2cc(F)ccc2O1)c1ccc(F)cc1.

What is the InChIKey of 4-fluoro-N-[[(2S)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]benzamide?

The InChIKey is HUSWNRKPNMFJIY-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H13F2NO2/c17-12-3-1-10(2-4-12)16(20)19-9-14-8-11-7-13(18)5-6-15(11)21-14/h1-7,14H,8-9H2,(H,19,20)/t14-/m0/s1.

What are the key properties of 4-fluoro-N-[[(2S)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]benzamide?

4-fluoro-N-[[(2S)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]benzamide has a molecular weight of 289.28 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 4-fluoro-N-[[(2S)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]benzamide is sourced from PubChem (CID 92756967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).