4-fluoro-N-[2-(1H-indol-3-yl)ethyl]-N-[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]benzamide

C25H28FN3O — CID 6968265

About 4-fluoro-N-[2-(1H-indol-3-yl)ethyl]-N-[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]benzamide

4-fluoro-N-[2-(1H-indol-3-yl)ethyl]-N-[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]benzamide (PubChem CID 6968265) has the molecular formula C25H28FN3O and a molecular weight of 405.52 g/mol. Its IUPAC name is 4-fluoro-N-[2-(1H-indol-3-yl)ethyl]-N-[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]benzamide.

Molecular Properties

• Compound Name: 4-fluoro-N-[2-(1H-indol-3-yl)ethyl]-N-[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]benzamide
• PubChem CID: 6968265
• Molecular Formula: C25H28FN3O
• Molecular Weight: 405.52 g/mol
• Exact Mass: 405.22
• IUPAC Name: 4-fluoro-N-[2-(1H-indol-3-yl)ethyl]-N-[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]benzamide
• SMILES: CN1[C@H]2CC[C@H]1CC(N(CCc1c[nH]c3ccccc13)C(=O)c1ccc(F)cc1)C2
• InChI: InChI=1S/C25H28FN3O/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/t20-,21-/m0/s1
• InChIKey: GMBUNTAZLAYQLS-SFTDATJTSA-N
• XLogP: 4.62
• TPSA: 39.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	405.52
LogP ≤ 5	4.62
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-[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]benzamide?

The IUPAC name of 4-fluoro-N-[2-(1H-indol-3-yl)ethyl]-N-[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]benzamide (CID 6968265) is 4-fluoro-N-[2-(1H-indol-3-yl)ethyl]-N-[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]benzamide.

What is the SMILES notation for 4-fluoro-N-[2-(1H-indol-3-yl)ethyl]-N-[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]benzamide?

The canonical SMILES for 4-fluoro-N-[2-(1H-indol-3-yl)ethyl]-N-[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]benzamide is CN1[C@H]2CC[C@H]1CC(N(CCc1c[nH]c3ccccc13)C(=O)c1ccc(F)cc1)C2.

What is the InChIKey of 4-fluoro-N-[2-(1H-indol-3-yl)ethyl]-N-[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]benzamide?

The InChIKey is GMBUNTAZLAYQLS-SFTDATJTSA-N. The full InChI is InChI=1S/C25H28FN3O/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/t20-,21-/m0/s1.

What are the key properties of 4-fluoro-N-[2-(1H-indol-3-yl)ethyl]-N-[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]benzamide?

4-fluoro-N-[2-(1H-indol-3-yl)ethyl]-N-[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]benzamide has a molecular weight of 405.52 g/mol, XLogP of 4.62, 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-[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]benzamide is sourced from PubChem (CID 6968265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).