3-(1-benzofuran-2-carbonyl)-1-(3-fluorophenyl)-4-hydroxy-2-(1H-indol-3-yl)-2H-pyrrol-5-one

C27H17FN2O4 — CID 108603497

About 3-(1-benzofuran-2-carbonyl)-1-(3-fluorophenyl)-4-hydroxy-2-(1H-indol-3-yl)-2H-pyrrol-5-one

3-(1-benzofuran-2-carbonyl)-1-(3-fluorophenyl)-4-hydroxy-2-(1H-indol-3-yl)-2H-pyrrol-5-one (PubChem CID 108603497) has the molecular formula C27H17FN2O4 and a molecular weight of 452.44 g/mol. Its IUPAC name is 3-(1-benzofuran-2-carbonyl)-1-(3-fluorophenyl)-4-hydroxy-2-(1H-indol-3-yl)-2H-pyrrol-5-one.

Molecular Properties

• Compound Name: 3-(1-benzofuran-2-carbonyl)-1-(3-fluorophenyl)-4-hydroxy-2-(1H-indol-3-yl)-2H-pyrrol-5-one
• PubChem CID: 108603497
• Molecular Formula: C27H17FN2O4
• Molecular Weight: 452.44 g/mol
• Exact Mass: 452.12
• IUPAC Name: 3-(1-benzofuran-2-carbonyl)-1-(3-fluorophenyl)-4-hydroxy-2-(1H-indol-3-yl)-2H-pyrrol-5-one
• SMILES: O=C(C1=C(O)C(=O)N(c2cccc(F)c2)C1c1c[nH]c2ccccc12)c1cc2ccccc2o1
• InChI: InChI=1S/C27H17FN2O4/c28-16-7-5-8-17(13-16)30-24(19-14-29-20-10-3-2-9-18(19)20)23(26(32)27(30)33)25(31)22-12-15-6-1-4-11-21(15)34-22/h1-14,24,29,32H
• InChIKey: RDALQOOGZSGMDI-UHFFFAOYSA-N
• XLogP: 5.84
• TPSA: 86.54 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	452.44
LogP ≤ 5	5.84
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzofuran-2-carbonyl)-1-(3-fluorophenyl)-4-hydroxy-2-(1H-indol-3-yl)-2H-pyrrol-5-one?

The IUPAC name of 3-(1-benzofuran-2-carbonyl)-1-(3-fluorophenyl)-4-hydroxy-2-(1H-indol-3-yl)-2H-pyrrol-5-one (CID 108603497) is 3-(1-benzofuran-2-carbonyl)-1-(3-fluorophenyl)-4-hydroxy-2-(1H-indol-3-yl)-2H-pyrrol-5-one.

What is the SMILES notation for 3-(1-benzofuran-2-carbonyl)-1-(3-fluorophenyl)-4-hydroxy-2-(1H-indol-3-yl)-2H-pyrrol-5-one?

The canonical SMILES for 3-(1-benzofuran-2-carbonyl)-1-(3-fluorophenyl)-4-hydroxy-2-(1H-indol-3-yl)-2H-pyrrol-5-one is O=C(C1=C(O)C(=O)N(c2cccc(F)c2)C1c1c[nH]c2ccccc12)c1cc2ccccc2o1.

What is the InChIKey of 3-(1-benzofuran-2-carbonyl)-1-(3-fluorophenyl)-4-hydroxy-2-(1H-indol-3-yl)-2H-pyrrol-5-one?

The InChIKey is RDALQOOGZSGMDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H17FN2O4/c28-16-7-5-8-17(13-16)30-24(19-14-29-20-10-3-2-9-18(19)20)23(26(32)27(30)33)25(31)22-12-15-6-1-4-11-21(15)34-22/h1-14,24,29,32H.

What are the key properties of 3-(1-benzofuran-2-carbonyl)-1-(3-fluorophenyl)-4-hydroxy-2-(1H-indol-3-yl)-2H-pyrrol-5-one?

3-(1-benzofuran-2-carbonyl)-1-(3-fluorophenyl)-4-hydroxy-2-(1H-indol-3-yl)-2H-pyrrol-5-one has a molecular weight of 452.44 g/mol, XLogP of 5.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(1-benzofuran-2-carbonyl)-1-(3-fluorophenyl)-4-hydroxy-2-(1H-indol-3-yl)-2H-pyrrol-5-one is sourced from PubChem (CID 108603497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).