2-(1,3-benzodioxol-5-yloxy)-1-[1-[2-(4-fluorophenyl)ethyl]-2,5-dimethylpyrrol-3-yl]ethanone

C23H22FNO4 — CID 7919465

About 2-(1,3-benzodioxol-5-yloxy)-1-[1-[2-(4-fluorophenyl)ethyl]-2,5-dimethylpyrrol-3-yl]ethanone

2-(1,3-benzodioxol-5-yloxy)-1-[1-[2-(4-fluorophenyl)ethyl]-2,5-dimethylpyrrol-3-yl]ethanone (PubChem CID 7919465) has the molecular formula C23H22FNO4 and a molecular weight of 395.43 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yloxy)-1-[1-[2-(4-fluorophenyl)ethyl]-2,5-dimethylpyrrol-3-yl]ethanone.

Molecular Properties

• Compound Name: 2-(1,3-benzodioxol-5-yloxy)-1-[1-[2-(4-fluorophenyl)ethyl]-2,5-dimethylpyrrol-3-yl]ethanone
• PubChem CID: 7919465
• Molecular Formula: C23H22FNO4
• Molecular Weight: 395.43 g/mol
• Exact Mass: 395.15
• IUPAC Name: 2-(1,3-benzodioxol-5-yloxy)-1-[1-[2-(4-fluorophenyl)ethyl]-2,5-dimethylpyrrol-3-yl]ethanone
• SMILES: Cc1cc(C(=O)COc2ccc3c(c2)OCO3)c(C)n1CCc1ccc(F)cc1
• InChI: InChI=1S/C23H22FNO4/c1-15-11-20(16(2)25(15)10-9-17-3-5-18(24)6-4-17)21(26)13-27-19-7-8-22-23(12-19)29-14-28-22/h3-8,11-12H,9-10,13-14H2,1-2H3
• InChIKey: SYWGOGOZYLBOMS-UHFFFAOYSA-N
• XLogP: 4.48
• TPSA: 49.69 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	395.43
LogP ≤ 5	4.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yloxy)-1-[1-[2-(4-fluorophenyl)ethyl]-2,5-dimethylpyrrol-3-yl]ethanone?

The IUPAC name of 2-(1,3-benzodioxol-5-yloxy)-1-[1-[2-(4-fluorophenyl)ethyl]-2,5-dimethylpyrrol-3-yl]ethanone (CID 7919465) is 2-(1,3-benzodioxol-5-yloxy)-1-[1-[2-(4-fluorophenyl)ethyl]-2,5-dimethylpyrrol-3-yl]ethanone.

What is the SMILES notation for 2-(1,3-benzodioxol-5-yloxy)-1-[1-[2-(4-fluorophenyl)ethyl]-2,5-dimethylpyrrol-3-yl]ethanone?

The canonical SMILES for 2-(1,3-benzodioxol-5-yloxy)-1-[1-[2-(4-fluorophenyl)ethyl]-2,5-dimethylpyrrol-3-yl]ethanone is Cc1cc(C(=O)COc2ccc3c(c2)OCO3)c(C)n1CCc1ccc(F)cc1.

What is the InChIKey of 2-(1,3-benzodioxol-5-yloxy)-1-[1-[2-(4-fluorophenyl)ethyl]-2,5-dimethylpyrrol-3-yl]ethanone?

The InChIKey is SYWGOGOZYLBOMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FNO4/c1-15-11-20(16(2)25(15)10-9-17-3-5-18(24)6-4-17)21(26)13-27-19-7-8-22-23(12-19)29-14-28-22/h3-8,11-12H,9-10,13-14H2,1-2H3.

What are the key properties of 2-(1,3-benzodioxol-5-yloxy)-1-[1-[2-(4-fluorophenyl)ethyl]-2,5-dimethylpyrrol-3-yl]ethanone?

2-(1,3-benzodioxol-5-yloxy)-1-[1-[2-(4-fluorophenyl)ethyl]-2,5-dimethylpyrrol-3-yl]ethanone has a molecular weight of 395.43 g/mol, XLogP of 4.48, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1,3-benzodioxol-5-yloxy)-1-[1-[2-(4-fluorophenyl)ethyl]-2,5-dimethylpyrrol-3-yl]ethanone is sourced from PubChem (CID 7919465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).