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

C22H21F3N2O2 — CID 156816429

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

2-[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]-N-(2-hydroxyethyl)acetamide (PubChem CID 156816429) has the molecular formula C22H21F3N2O2 and a molecular weight of 402.42 g/mol. Its IUPAC name is 2-[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]-N-(2-hydroxyethyl)acetamide.

Molecular Properties

• Compound Name: 2-[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]-N-(2-hydroxyethyl)acetamide
• PubChem CID: 156816429
• Molecular Formula: C22H21F3N2O2
• Molecular Weight: 402.42 g/mol
• Exact Mass: 402.16
• IUPAC Name: 2-[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]-N-(2-hydroxyethyl)acetamide
• SMILES: O=C(CC1CC(c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc23)C1)NCCO
• InChI: InChI=1S/C22H21F3N2O2/c23-15-3-1-13(2-4-15)21-20(17-10-16(24)11-18(25)22(17)27-21)14-7-12(8-14)9-19(29)26-5-6-28/h1-4,10-12,14,27-28H,5-9H2,(H,26,29)
• InChIKey: CDKYDSQPUSBVHQ-UHFFFAOYSA-N
• XLogP: 4.24
• TPSA: 65.12 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	402.42
LogP ≤ 5	4.24
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

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

The IUPAC name of 2-[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]-N-(2-hydroxyethyl)acetamide (CID 156816429) is 2-[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]-N-(2-hydroxyethyl)acetamide.

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

The canonical SMILES for 2-[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]-N-(2-hydroxyethyl)acetamide is O=C(CC1CC(c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc23)C1)NCCO.

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

The InChIKey is CDKYDSQPUSBVHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F3N2O2/c23-15-3-1-13(2-4-15)21-20(17-10-16(24)11-18(25)22(17)27-21)14-7-12(8-14)9-19(29)26-5-6-28/h1-4,10-12,14,27-28H,5-9H2,(H,26,29).

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

2-[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]-N-(2-hydroxyethyl)acetamide has a molecular weight of 402.42 g/mol, XLogP of 4.24, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]-N-(2-hydroxyethyl)acetamide is sourced from PubChem (CID 156816429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).