2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]acetamide;dihydrochloride

C20H30Cl3N3O2 — CID 119873198

About 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]acetamide;dihydrochloride

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]acetamide;dihydrochloride (PubChem CID 119873198) has the molecular formula C20H30Cl3N3O2 and a molecular weight of 450.84 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]acetamide;dihydrochloride.

Molecular Properties

• Compound Name: 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]acetamide;dihydrochloride
• PubChem CID: 119873198
• Molecular Formula: C20H30Cl3N3O2
• Molecular Weight: 450.84 g/mol
• Exact Mass: 449.14
• IUPAC Name: 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]acetamide;dihydrochloride
• SMILES: COc1ccc(Cl)cc1N1CCC(NC(=O)CC2CC3CCC(C2)N3)C1.Cl.Cl
• InChI: InChI=1S/C20H28ClN3O2.2ClH/c1-26-19-5-2-14(21)11-18(19)24-7-6-17(12-24)23-20(25)10-13-8-15-3-4-16(9-13)22-15;;/h2,5,11,13,15-17,22H,3-4,6-10,12H2,1H3,(H,23,25);2*1H
• InChIKey: JMHVRBZCDBRYQK-UHFFFAOYSA-N
• XLogP: 3.81
• TPSA: 53.60 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	450.84
LogP ≤ 5	3.81
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]acetamide;dihydrochloride?

The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]acetamide;dihydrochloride (CID 119873198) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]acetamide;dihydrochloride.

What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]acetamide;dihydrochloride?

The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]acetamide;dihydrochloride is COc1ccc(Cl)cc1N1CCC(NC(=O)CC2CC3CCC(C2)N3)C1.Cl.Cl.

What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]acetamide;dihydrochloride?

The InChIKey is JMHVRBZCDBRYQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28ClN3O2.2ClH/c1-26-19-5-2-14(21)11-18(19)24-7-6-17(12-24)23-20(25)10-13-8-15-3-4-16(9-13)22-15;;/h2,5,11,13,15-17,22H,3-4,6-10,12H2,1H3,(H,23,25);2*1H.

What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]acetamide;dihydrochloride?

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]acetamide;dihydrochloride has a molecular weight of 450.84 g/mol, XLogP of 3.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]acetamide;dihydrochloride is sourced from PubChem (CID 119873198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).