4-fluoro-N-[2-(1H-indol-3-yl)ethyl]-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)benzamide;hydrochloride

C25H29ClFN3O — CID 126476335

About 4-fluoro-N-[2-(1H-indol-3-yl)ethyl]-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)benzamide;hydrochloride

4-fluoro-N-[2-(1H-indol-3-yl)ethyl]-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)benzamide;hydrochloride (PubChem CID 126476335) has the molecular formula C25H29ClFN3O and a molecular weight of 441.98 g/mol. Its IUPAC name is 4-fluoro-N-[2-(1H-indol-3-yl)ethyl]-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)benzamide;hydrochloride.

Molecular Properties

• Compound Name: 4-fluoro-N-[2-(1H-indol-3-yl)ethyl]-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)benzamide;hydrochloride
• PubChem CID: 126476335
• Molecular Formula: C25H29ClFN3O
• Molecular Weight: 441.98 g/mol
• Exact Mass: 441.20
• IUPAC Name: 4-fluoro-N-[2-(1H-indol-3-yl)ethyl]-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)benzamide;hydrochloride
• SMILES: CN1C2CCC1CC(N(CCc1c[nH]c3ccccc13)C(=O)c1ccc(F)cc1)C2.Cl
• InChI: InChI=1S/C25H28FN3O.ClH/c1-28-20-10-11-21(28)15-22(14-20)29(25(30)17-6-8-19(26)9-7-17)13-12-18-16-27-24-5-3-2-4-23(18)24;/h2-9,16,20-22,27H,10-15H2,1H3;1H
• InChIKey: FIDIGZHXUPSXFB-UHFFFAOYSA-N
• XLogP: 5.04
• TPSA: 39.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	441.98
LogP ≤ 5	5.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-(1H-indol-3-yl)ethyl]-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)benzamide;hydrochloride?

The IUPAC name of 4-fluoro-N-[2-(1H-indol-3-yl)ethyl]-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)benzamide;hydrochloride (CID 126476335) is 4-fluoro-N-[2-(1H-indol-3-yl)ethyl]-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)benzamide;hydrochloride.

What is the SMILES notation for 4-fluoro-N-[2-(1H-indol-3-yl)ethyl]-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)benzamide;hydrochloride?

The canonical SMILES for 4-fluoro-N-[2-(1H-indol-3-yl)ethyl]-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)benzamide;hydrochloride is CN1C2CCC1CC(N(CCc1c[nH]c3ccccc13)C(=O)c1ccc(F)cc1)C2.Cl.

What is the InChIKey of 4-fluoro-N-[2-(1H-indol-3-yl)ethyl]-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)benzamide;hydrochloride?

The InChIKey is FIDIGZHXUPSXFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN3O.ClH/c1-28-20-10-11-21(28)15-22(14-20)29(25(30)17-6-8-19(26)9-7-17)13-12-18-16-27-24-5-3-2-4-23(18)24;/h2-9,16,20-22,27H,10-15H2,1H3;1H.

What are the key properties of 4-fluoro-N-[2-(1H-indol-3-yl)ethyl]-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)benzamide;hydrochloride?

4-fluoro-N-[2-(1H-indol-3-yl)ethyl]-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)benzamide;hydrochloride has a molecular weight of 441.98 g/mol, XLogP of 5.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 4-fluoro-N-[2-(1H-indol-3-yl)ethyl]-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)benzamide;hydrochloride is sourced from PubChem (CID 126476335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).