2-[3-[(4-chloro-3-methylphenoxy)methyl]-1-[5-(2-fluorophenyl)furan-2-carbonyl]piperidin-3-yl]acetamide

C26H26ClFN2O4 — CID 110165150

About 2-[3-[(4-chloro-3-methylphenoxy)methyl]-1-[5-(2-fluorophenyl)furan-2-carbonyl]piperidin-3-yl]acetamide

2-[3-[(4-chloro-3-methylphenoxy)methyl]-1-[5-(2-fluorophenyl)furan-2-carbonyl]piperidin-3-yl]acetamide (PubChem CID 110165150) has the molecular formula C26H26ClFN2O4 and a molecular weight of 484.96 g/mol. Its IUPAC name is 2-[3-[(4-chloro-3-methylphenoxy)methyl]-1-[5-(2-fluorophenyl)furan-2-carbonyl]piperidin-3-yl]acetamide.

Molecular Properties

• Compound Name: 2-[3-[(4-chloro-3-methylphenoxy)methyl]-1-[5-(2-fluorophenyl)furan-2-carbonyl]piperidin-3-yl]acetamide
• PubChem CID: 110165150
• Molecular Formula: C26H26ClFN2O4
• Molecular Weight: 484.96 g/mol
• Exact Mass: 484.16
• IUPAC Name: 2-[3-[(4-chloro-3-methylphenoxy)methyl]-1-[5-(2-fluorophenyl)furan-2-carbonyl]piperidin-3-yl]acetamide
• SMILES: Cc1cc(OCC2(CC(N)=O)CCCN(C(=O)c3ccc(-c4ccccc4F)o3)C2)ccc1Cl
• InChI: InChI=1S/C26H26ClFN2O4/c1-17-13-18(7-8-20(17)27)33-16-26(14-24(29)31)11-4-12-30(15-26)25(32)23-10-9-22(34-23)19-5-2-3-6-21(19)28/h2-3,5-10,13H,4,11-12,14-16H2,1H3,(H2,29,31)
• InChIKey: JJQAMZPAHGCWCG-UHFFFAOYSA-N
• XLogP: 5.22
• TPSA: 85.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	484.96
LogP ≤ 5	5.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(4-chloro-3-methylphenoxy)methyl]-1-[5-(2-fluorophenyl)furan-2-carbonyl]piperidin-3-yl]acetamide?

The IUPAC name of 2-[3-[(4-chloro-3-methylphenoxy)methyl]-1-[5-(2-fluorophenyl)furan-2-carbonyl]piperidin-3-yl]acetamide (CID 110165150) is 2-[3-[(4-chloro-3-methylphenoxy)methyl]-1-[5-(2-fluorophenyl)furan-2-carbonyl]piperidin-3-yl]acetamide.

What is the SMILES notation for 2-[3-[(4-chloro-3-methylphenoxy)methyl]-1-[5-(2-fluorophenyl)furan-2-carbonyl]piperidin-3-yl]acetamide?

The canonical SMILES for 2-[3-[(4-chloro-3-methylphenoxy)methyl]-1-[5-(2-fluorophenyl)furan-2-carbonyl]piperidin-3-yl]acetamide is Cc1cc(OCC2(CC(N)=O)CCCN(C(=O)c3ccc(-c4ccccc4F)o3)C2)ccc1Cl.

What is the InChIKey of 2-[3-[(4-chloro-3-methylphenoxy)methyl]-1-[5-(2-fluorophenyl)furan-2-carbonyl]piperidin-3-yl]acetamide?

The InChIKey is JJQAMZPAHGCWCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClFN2O4/c1-17-13-18(7-8-20(17)27)33-16-26(14-24(29)31)11-4-12-30(15-26)25(32)23-10-9-22(34-23)19-5-2-3-6-21(19)28/h2-3,5-10,13H,4,11-12,14-16H2,1H3,(H2,29,31).

What are the key properties of 2-[3-[(4-chloro-3-methylphenoxy)methyl]-1-[5-(2-fluorophenyl)furan-2-carbonyl]piperidin-3-yl]acetamide?

2-[3-[(4-chloro-3-methylphenoxy)methyl]-1-[5-(2-fluorophenyl)furan-2-carbonyl]piperidin-3-yl]acetamide has a molecular weight of 484.96 g/mol, XLogP of 5.22, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[(4-chloro-3-methylphenoxy)methyl]-1-[5-(2-fluorophenyl)furan-2-carbonyl]piperidin-3-yl]acetamide is sourced from PubChem (CID 110165150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).