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

C21H22FNO3 — CID 91766761

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

N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-2-fluoro-4-methylbenzamide (PubChem CID 91766761) has the molecular formula C21H22FNO3 and a molecular weight of 355.41 g/mol. Its IUPAC name is N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-2-fluoro-4-methylbenzamide.

Molecular Properties

• Compound Name: N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-2-fluoro-4-methylbenzamide
• PubChem CID: 91766761
• Molecular Formula: C21H22FNO3
• Molecular Weight: 355.41 g/mol
• Exact Mass: 355.16
• IUPAC Name: N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-2-fluoro-4-methylbenzamide
• SMILES: Cc1ccc(C(=O)NC(c2ccc3c(c2)CCO3)C2CC(O)C2)c(F)c1
• InChI: InChI=1S/C21H22FNO3/c1-12-2-4-17(18(22)8-12)21(25)23-20(15-10-16(24)11-15)14-3-5-19-13(9-14)6-7-26-19/h2-5,8-9,15-16,20,24H,6-7,10-11H2,1H3,(H,23,25)
• InChIKey: SNPJQTDDKNXWLU-UHFFFAOYSA-N
• XLogP: 3.31
• TPSA: 58.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	355.41
LogP ≤ 5	3.31
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-2-fluoro-4-methylbenzamide (CID 91766761) is N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-2-fluoro-4-methylbenzamide.

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

The canonical SMILES for N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-2-fluoro-4-methylbenzamide is Cc1ccc(C(=O)NC(c2ccc3c(c2)CCO3)C2CC(O)C2)c(F)c1.

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

The InChIKey is SNPJQTDDKNXWLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FNO3/c1-12-2-4-17(18(22)8-12)21(25)23-20(15-10-16(24)11-15)14-3-5-19-13(9-14)6-7-26-19/h2-5,8-9,15-16,20,24H,6-7,10-11H2,1H3,(H,23,25).

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

N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-2-fluoro-4-methylbenzamide has a molecular weight of 355.41 g/mol, XLogP of 3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-2-fluoro-4-methylbenzamide is sourced from PubChem (CID 91766761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).