3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-1-(3-hydroxy-3-methylpyrrolidin-1-yl)propan-1-one

C22H22F2N2O2 — CID 166586133

About 3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-1-(3-hydroxy-3-methylpyrrolidin-1-yl)propan-1-one

3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-1-(3-hydroxy-3-methylpyrrolidin-1-yl)propan-1-one (PubChem CID 166586133) has the molecular formula C22H22F2N2O2 and a molecular weight of 384.43 g/mol. Its IUPAC name is 3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-1-(3-hydroxy-3-methylpyrrolidin-1-yl)propan-1-one.

Molecular Properties

• Compound Name: 3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-1-(3-hydroxy-3-methylpyrrolidin-1-yl)propan-1-one
• PubChem CID: 166586133
• Molecular Formula: C22H22F2N2O2
• Molecular Weight: 384.43 g/mol
• Exact Mass: 384.16
• IUPAC Name: 3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-1-(3-hydroxy-3-methylpyrrolidin-1-yl)propan-1-one
• SMILES: CC1(O)CCN(C(=O)CCc2c(-c3ccc(F)cc3)[nH]c3ccc(F)cc23)C1
• InChI: InChI=1S/C22H22F2N2O2/c1-22(28)10-11-26(13-22)20(27)9-7-17-18-12-16(24)6-8-19(18)25-21(17)14-2-4-15(23)5-3-14/h2-6,8,12,25,28H,7,9-11,13H2,1H3
• InChIKey: FSPDODUBPHTYIA-UHFFFAOYSA-N
• XLogP: 4.03
• TPSA: 56.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	384.43
LogP ≤ 5	4.03
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-1-(3-hydroxy-3-methylpyrrolidin-1-yl)propan-1-one?

The IUPAC name of 3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-1-(3-hydroxy-3-methylpyrrolidin-1-yl)propan-1-one (CID 166586133) is 3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-1-(3-hydroxy-3-methylpyrrolidin-1-yl)propan-1-one.

What is the SMILES notation for 3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-1-(3-hydroxy-3-methylpyrrolidin-1-yl)propan-1-one?

The canonical SMILES for 3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-1-(3-hydroxy-3-methylpyrrolidin-1-yl)propan-1-one is CC1(O)CCN(C(=O)CCc2c(-c3ccc(F)cc3)[nH]c3ccc(F)cc23)C1.

What is the InChIKey of 3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-1-(3-hydroxy-3-methylpyrrolidin-1-yl)propan-1-one?

The InChIKey is FSPDODUBPHTYIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F2N2O2/c1-22(28)10-11-26(13-22)20(27)9-7-17-18-12-16(24)6-8-19(18)25-21(17)14-2-4-15(23)5-3-14/h2-6,8,12,25,28H,7,9-11,13H2,1H3.

What are the key properties of 3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-1-(3-hydroxy-3-methylpyrrolidin-1-yl)propan-1-one?

3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-1-(3-hydroxy-3-methylpyrrolidin-1-yl)propan-1-one has a molecular weight of 384.43 g/mol, XLogP of 4.03, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-1-(3-hydroxy-3-methylpyrrolidin-1-yl)propan-1-one is sourced from PubChem (CID 166586133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).