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

C23H21F3N2O2 — CID 162390075

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

N-[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]-2-(oxetan-3-yl)acetamide (PubChem CID 162390075) has the molecular formula C23H21F3N2O2 and a molecular weight of 414.43 g/mol. Its IUPAC name is N-[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]-2-(oxetan-3-yl)acetamide.

Molecular Properties

• Compound Name: N-[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]-2-(oxetan-3-yl)acetamide
• PubChem CID: 162390075
• Molecular Formula: C23H21F3N2O2
• Molecular Weight: 414.43 g/mol
• Exact Mass: 414.16
• IUPAC Name: N-[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]-2-(oxetan-3-yl)acetamide
• SMILES: O=C(CC1COC1)NC1CC(c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc23)C1
• InChI: InChI=1S/C23H21F3N2O2/c24-15-3-1-13(2-4-15)22-21(18-8-16(25)9-19(26)23(18)28-22)14-6-17(7-14)27-20(29)5-12-10-30-11-12/h1-4,8-9,12,14,17,28H,5-7,10-11H2,(H,27,29)
• InChIKey: HTZAGUBHZWWZIG-UHFFFAOYSA-N
• XLogP: 4.65
• TPSA: 54.12 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	414.43
LogP ≤ 5	4.65
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]-2-(oxetan-3-yl)acetamide?

The IUPAC name of N-[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]-2-(oxetan-3-yl)acetamide (CID 162390075) is N-[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]-2-(oxetan-3-yl)acetamide.

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

The canonical SMILES for N-[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]-2-(oxetan-3-yl)acetamide is O=C(CC1COC1)NC1CC(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]-2-(oxetan-3-yl)acetamide?

The InChIKey is HTZAGUBHZWWZIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N2O2/c24-15-3-1-13(2-4-15)22-21(18-8-16(25)9-19(26)23(18)28-22)14-6-17(7-14)27-20(29)5-12-10-30-11-12/h1-4,8-9,12,14,17,28H,5-7,10-11H2,(H,27,29).

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

N-[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]-2-(oxetan-3-yl)acetamide has a molecular weight of 414.43 g/mol, XLogP of 4.65, 5 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]-2-(oxetan-3-yl)acetamide is sourced from PubChem (CID 162390075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).