N-[[(2S)-5-(2-acetylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-fluorobenzamide

C24H20FNO3 — CID 42406034

About N-[[(2S)-5-(2-acetylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-fluorobenzamide

N-[[(2S)-5-(2-acetylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-fluorobenzamide (PubChem CID 42406034) has the molecular formula C24H20FNO3 and a molecular weight of 389.43 g/mol. Its IUPAC name is N-[[(2S)-5-(2-acetylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-fluorobenzamide.

Molecular Properties

• Compound Name: N-[[(2S)-5-(2-acetylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-fluorobenzamide
• PubChem CID: 42406034
• Molecular Formula: C24H20FNO3
• Molecular Weight: 389.43 g/mol
• Exact Mass: 389.14
• IUPAC Name: N-[[(2S)-5-(2-acetylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-fluorobenzamide
• SMILES: CC(=O)c1ccccc1-c1ccc2c(c1)C[C@@H](CNC(=O)c1ccccc1F)O2
• InChI: InChI=1S/C24H20FNO3/c1-15(27)19-6-2-3-7-20(19)16-10-11-23-17(12-16)13-18(29-23)14-26-24(28)21-8-4-5-9-22(21)25/h2-12,18H,13-14H2,1H3,(H,26,28)/t18-/m0/s1
• InChIKey: CTIUWBCUWGXPEH-SFHVURJKSA-N
• XLogP: 4.43
• TPSA: 55.40 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	389.43
LogP ≤ 5	4.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of N-[[(2S)-5-(2-acetylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-fluorobenzamide (CID 42406034) is N-[[(2S)-5-(2-acetylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-fluorobenzamide.

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

The canonical SMILES for N-[[(2S)-5-(2-acetylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-fluorobenzamide is CC(=O)c1ccccc1-c1ccc2c(c1)C[C@@H](CNC(=O)c1ccccc1F)O2.

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

The InChIKey is CTIUWBCUWGXPEH-SFHVURJKSA-N. The full InChI is InChI=1S/C24H20FNO3/c1-15(27)19-6-2-3-7-20(19)16-10-11-23-17(12-16)13-18(29-23)14-26-24(28)21-8-4-5-9-22(21)25/h2-12,18H,13-14H2,1H3,(H,26,28)/t18-/m0/s1.

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

N-[[(2S)-5-(2-acetylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-fluorobenzamide has a molecular weight of 389.43 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(2S)-5-(2-acetylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-fluorobenzamide is sourced from PubChem (CID 42406034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).