N-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]-2-(oxan-3-yl)acetamide

C26H27F3N2O2 — CID 162389885

About N-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]-2-(oxan-3-yl)acetamide

N-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]-2-(oxan-3-yl)acetamide (PubChem CID 162389885) has the molecular formula C26H27F3N2O2 and a molecular weight of 456.51 g/mol. Its IUPAC name is N-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]-2-(oxan-3-yl)acetamide.

Molecular Properties

• Compound Name: N-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]-2-(oxan-3-yl)acetamide
• PubChem CID: 162389885
• Molecular Formula: C26H27F3N2O2
• Molecular Weight: 456.51 g/mol
• Exact Mass: 456.20
• IUPAC Name: N-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]-2-(oxan-3-yl)acetamide
• SMILES: O=C(CC1CCCOC1)NCC1CC(c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc23)C1
• InChI: InChI=1S/C26H27F3N2O2/c27-19-5-3-17(4-6-19)25-24(21-11-20(28)12-22(29)26(21)31-25)18-8-16(9-18)13-30-23(32)10-15-2-1-7-33-14-15/h3-6,11-12,15-16,18,31H,1-2,7-10,13-14H2,(H,30,32)
• InChIKey: ASSCDQPIPANUDJ-UHFFFAOYSA-N
• XLogP: 5.68
• TPSA: 54.12 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	456.51
LogP ≤ 5	5.68
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]-2-(oxan-3-yl)acetamide?

The IUPAC name of N-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]-2-(oxan-3-yl)acetamide (CID 162389885) is N-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]-2-(oxan-3-yl)acetamide.

What is the SMILES notation for N-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]-2-(oxan-3-yl)acetamide?

The canonical SMILES for N-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]-2-(oxan-3-yl)acetamide is O=C(CC1CCCOC1)NCC1CC(c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc23)C1.

What is the InChIKey of N-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]-2-(oxan-3-yl)acetamide?

The InChIKey is ASSCDQPIPANUDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27F3N2O2/c27-19-5-3-17(4-6-19)25-24(21-11-20(28)12-22(29)26(21)31-25)18-8-16(9-18)13-30-23(32)10-15-2-1-7-33-14-15/h3-6,11-12,15-16,18,31H,1-2,7-10,13-14H2,(H,30,32).

What are the key properties of N-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]-2-(oxan-3-yl)acetamide?

N-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]-2-(oxan-3-yl)acetamide has a molecular weight of 456.51 g/mol, XLogP of 5.68, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]-2-(oxan-3-yl)acetamide is sourced from PubChem (CID 162389885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).