3-acetyl-2-(2-fluoro-4-methylphenyl)-4-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-2H-pyrrol-5-one;carbon dioxide

C24H21FN2O5 — CID 159608792

About 3-acetyl-2-(2-fluoro-4-methylphenyl)-4-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-2H-pyrrol-5-one;carbon dioxide

3-acetyl-2-(2-fluoro-4-methylphenyl)-4-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-2H-pyrrol-5-one;carbon dioxide (PubChem CID 159608792) has the molecular formula C24H21FN2O5 and a molecular weight of 436.44 g/mol. Its IUPAC name is 3-acetyl-2-(2-fluoro-4-methylphenyl)-4-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-2H-pyrrol-5-one;carbon dioxide.

Molecular Properties

• Compound Name: 3-acetyl-2-(2-fluoro-4-methylphenyl)-4-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-2H-pyrrol-5-one;carbon dioxide
• PubChem CID: 159608792
• Molecular Formula: C24H21FN2O5
• Molecular Weight: 436.44 g/mol
• Exact Mass: 436.14
• IUPAC Name: 3-acetyl-2-(2-fluoro-4-methylphenyl)-4-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-2H-pyrrol-5-one;carbon dioxide
• SMILES: CC(=O)C1=C(O)C(=O)N(CCc2c[nH]c3ccccc23)C1c1ccc(C)cc1F.O=C=O
• InChI: InChI=1S/C23H21FN2O3.CO2/c1-13-7-8-17(18(24)11-13)21-20(14(2)27)22(28)23(29)26(21)10-9-15-12-25-19-6-4-3-5-16(15)19;2-1-3/h3-8,11-12,21,25,28H,9-10H2,1-2H3
• InChIKey: MMKJLQJTTSAOQT-UHFFFAOYSA-N
• XLogP: 3.56
• TPSA: 107.54 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	436.44
LogP ≤ 5	3.56
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-2-(2-fluoro-4-methylphenyl)-4-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-2H-pyrrol-5-one;carbon dioxide?

The IUPAC name of 3-acetyl-2-(2-fluoro-4-methylphenyl)-4-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-2H-pyrrol-5-one;carbon dioxide (CID 159608792) is 3-acetyl-2-(2-fluoro-4-methylphenyl)-4-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-2H-pyrrol-5-one;carbon dioxide.

What is the SMILES notation for 3-acetyl-2-(2-fluoro-4-methylphenyl)-4-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-2H-pyrrol-5-one;carbon dioxide?

The canonical SMILES for 3-acetyl-2-(2-fluoro-4-methylphenyl)-4-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-2H-pyrrol-5-one;carbon dioxide is CC(=O)C1=C(O)C(=O)N(CCc2c[nH]c3ccccc23)C1c1ccc(C)cc1F.O=C=O.

What is the InChIKey of 3-acetyl-2-(2-fluoro-4-methylphenyl)-4-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-2H-pyrrol-5-one;carbon dioxide?

The InChIKey is MMKJLQJTTSAOQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN2O3.CO2/c1-13-7-8-17(18(24)11-13)21-20(14(2)27)22(28)23(29)26(21)10-9-15-12-25-19-6-4-3-5-16(15)19;2-1-3/h3-8,11-12,21,25,28H,9-10H2,1-2H3;.

What are the key properties of 3-acetyl-2-(2-fluoro-4-methylphenyl)-4-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-2H-pyrrol-5-one;carbon dioxide?

3-acetyl-2-(2-fluoro-4-methylphenyl)-4-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-2H-pyrrol-5-one;carbon dioxide has a molecular weight of 436.44 g/mol, XLogP of 3.56, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-acetyl-2-(2-fluoro-4-methylphenyl)-4-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-2H-pyrrol-5-one;carbon dioxide is sourced from PubChem (CID 159608792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).