5-[(3-chlorophenoxy)methyl]-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)furan-2-carboxamide

C20H23ClN2O3 — CID 19446237

About 5-[(3-chlorophenoxy)methyl]-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)furan-2-carboxamide

5-[(3-chlorophenoxy)methyl]-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)furan-2-carboxamide (PubChem CID 19446237) has the molecular formula C20H23ClN2O3 and a molecular weight of 374.87 g/mol. Its IUPAC name is 5-[(3-chlorophenoxy)methyl]-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)furan-2-carboxamide.

Molecular Properties

• Compound Name: 5-[(3-chlorophenoxy)methyl]-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)furan-2-carboxamide
• PubChem CID: 19446237
• Molecular Formula: C20H23ClN2O3
• Molecular Weight: 374.87 g/mol
• Exact Mass: 374.14
• IUPAC Name: 5-[(3-chlorophenoxy)methyl]-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)furan-2-carboxamide
• SMILES: CN1C2CCC1CC(NC(=O)c1ccc(COc3cccc(Cl)c3)o1)C2
• InChI: InChI=1S/C20H23ClN2O3/c1-23-15-5-6-16(23)11-14(10-15)22-20(24)19-8-7-18(26-19)12-25-17-4-2-3-13(21)9-17/h2-4,7-9,14-16H,5-6,10-12H2,1H3,(H,22,24)
• InChIKey: CNIKTCOHPYPZTJ-UHFFFAOYSA-N
• XLogP: 3.87
• TPSA: 54.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	374.87
LogP ≤ 5	3.87
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-[(3-chlorophenoxy)methyl]-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)furan-2-carboxamide?

The IUPAC name of 5-[(3-chlorophenoxy)methyl]-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)furan-2-carboxamide (CID 19446237) is 5-[(3-chlorophenoxy)methyl]-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)furan-2-carboxamide.

What is the SMILES notation for 5-[(3-chlorophenoxy)methyl]-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)furan-2-carboxamide?

The canonical SMILES for 5-[(3-chlorophenoxy)methyl]-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)furan-2-carboxamide is CN1C2CCC1CC(NC(=O)c1ccc(COc3cccc(Cl)c3)o1)C2.

What is the InChIKey of 5-[(3-chlorophenoxy)methyl]-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)furan-2-carboxamide?

The InChIKey is CNIKTCOHPYPZTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O3/c1-23-15-5-6-16(23)11-14(10-15)22-20(24)19-8-7-18(26-19)12-25-17-4-2-3-13(21)9-17/h2-4,7-9,14-16H,5-6,10-12H2,1H3,(H,22,24).

What are the key properties of 5-[(3-chlorophenoxy)methyl]-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)furan-2-carboxamide?

5-[(3-chlorophenoxy)methyl]-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)furan-2-carboxamide has a molecular weight of 374.87 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(3-chlorophenoxy)methyl]-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)furan-2-carboxamide is sourced from PubChem (CID 19446237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).