5-[(4-chloro-2-methylphenoxy)methyl]-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)furan-2-carboxamide

C21H25ClN2O3 — CID 19457564

About 5-[(4-chloro-2-methylphenoxy)methyl]-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)furan-2-carboxamide

5-[(4-chloro-2-methylphenoxy)methyl]-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)furan-2-carboxamide (PubChem CID 19457564) has the molecular formula C21H25ClN2O3 and a molecular weight of 388.90 g/mol. Its IUPAC name is 5-[(4-chloro-2-methylphenoxy)methyl]-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)furan-2-carboxamide.

Molecular Properties

• Compound Name: 5-[(4-chloro-2-methylphenoxy)methyl]-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)furan-2-carboxamide
• PubChem CID: 19457564
• Molecular Formula: C21H25ClN2O3
• Molecular Weight: 388.90 g/mol
• Exact Mass: 388.16
• IUPAC Name: 5-[(4-chloro-2-methylphenoxy)methyl]-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)furan-2-carboxamide
• SMILES: Cc1cc(Cl)ccc1OCc1ccc(C(=O)NC2CC3CCC(C2)N3C)o1
• InChI: InChI=1S/C21H25ClN2O3/c1-13-9-14(22)3-7-19(13)26-12-18-6-8-20(27-18)21(25)23-15-10-16-4-5-17(11-15)24(16)2/h3,6-9,15-17H,4-5,10-12H2,1-2H3,(H,23,25)
• InChIKey: JRVCLAKTSYXSMS-UHFFFAOYSA-N
• XLogP: 4.18
• TPSA: 54.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	388.90
LogP ≤ 5	4.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chloro-2-methylphenoxy)methyl]-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)furan-2-carboxamide?

The IUPAC name of 5-[(4-chloro-2-methylphenoxy)methyl]-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)furan-2-carboxamide (CID 19457564) is 5-[(4-chloro-2-methylphenoxy)methyl]-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)furan-2-carboxamide.

What is the SMILES notation for 5-[(4-chloro-2-methylphenoxy)methyl]-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)furan-2-carboxamide?

The canonical SMILES for 5-[(4-chloro-2-methylphenoxy)methyl]-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)furan-2-carboxamide is Cc1cc(Cl)ccc1OCc1ccc(C(=O)NC2CC3CCC(C2)N3C)o1.

What is the InChIKey of 5-[(4-chloro-2-methylphenoxy)methyl]-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)furan-2-carboxamide?

The InChIKey is JRVCLAKTSYXSMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O3/c1-13-9-14(22)3-7-19(13)26-12-18-6-8-20(27-18)21(25)23-15-10-16-4-5-17(11-15)24(16)2/h3,6-9,15-17H,4-5,10-12H2,1-2H3,(H,23,25).

What are the key properties of 5-[(4-chloro-2-methylphenoxy)methyl]-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)furan-2-carboxamide?

5-[(4-chloro-2-methylphenoxy)methyl]-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)furan-2-carboxamide has a molecular weight of 388.90 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(4-chloro-2-methylphenoxy)methyl]-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)furan-2-carboxamide is sourced from PubChem (CID 19457564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).