2-(2-chlorophenyl)-3-(furan-2-carbonyl)-1-[2-(furan-2-yl)-2-morpholin-4-ylethyl]-4-hydroxy-2H-pyrrol-5-one

C25H23ClN2O6 — CID 21008429

About 2-(2-chlorophenyl)-3-(furan-2-carbonyl)-1-[2-(furan-2-yl)-2-morpholin-4-ylethyl]-4-hydroxy-2H-pyrrol-5-one

2-(2-chlorophenyl)-3-(furan-2-carbonyl)-1-[2-(furan-2-yl)-2-morpholin-4-ylethyl]-4-hydroxy-2H-pyrrol-5-one (PubChem CID 21008429) has the molecular formula C25H23ClN2O6 and a molecular weight of 482.92 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-3-(furan-2-carbonyl)-1-[2-(furan-2-yl)-2-morpholin-4-ylethyl]-4-hydroxy-2H-pyrrol-5-one.

Molecular Properties

• Compound Name: 2-(2-chlorophenyl)-3-(furan-2-carbonyl)-1-[2-(furan-2-yl)-2-morpholin-4-ylethyl]-4-hydroxy-2H-pyrrol-5-one
• PubChem CID: 21008429
• Molecular Formula: C25H23ClN2O6
• Molecular Weight: 482.92 g/mol
• Exact Mass: 482.12
• IUPAC Name: 2-(2-chlorophenyl)-3-(furan-2-carbonyl)-1-[2-(furan-2-yl)-2-morpholin-4-ylethyl]-4-hydroxy-2H-pyrrol-5-one
• SMILES: O=C(C1=C(O)C(=O)N(CC(c2ccco2)N2CCOCC2)C1c1ccccc1Cl)c1ccco1
• InChI: InChI=1S/C25H23ClN2O6/c26-17-6-2-1-5-16(17)22-21(23(29)20-8-4-12-34-20)24(30)25(31)28(22)15-18(19-7-3-11-33-19)27-9-13-32-14-10-27/h1-8,11-12,18,22,30H,9-10,13-15H2
• InChIKey: BRRKSZZREQVCTQ-UHFFFAOYSA-N
• XLogP: 4.18
• TPSA: 96.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	482.92
LogP ≤ 5	4.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-3-(furan-2-carbonyl)-1-[2-(furan-2-yl)-2-morpholin-4-ylethyl]-4-hydroxy-2H-pyrrol-5-one?

The IUPAC name of 2-(2-chlorophenyl)-3-(furan-2-carbonyl)-1-[2-(furan-2-yl)-2-morpholin-4-ylethyl]-4-hydroxy-2H-pyrrol-5-one (CID 21008429) is 2-(2-chlorophenyl)-3-(furan-2-carbonyl)-1-[2-(furan-2-yl)-2-morpholin-4-ylethyl]-4-hydroxy-2H-pyrrol-5-one.

What is the SMILES notation for 2-(2-chlorophenyl)-3-(furan-2-carbonyl)-1-[2-(furan-2-yl)-2-morpholin-4-ylethyl]-4-hydroxy-2H-pyrrol-5-one?

The canonical SMILES for 2-(2-chlorophenyl)-3-(furan-2-carbonyl)-1-[2-(furan-2-yl)-2-morpholin-4-ylethyl]-4-hydroxy-2H-pyrrol-5-one is O=C(C1=C(O)C(=O)N(CC(c2ccco2)N2CCOCC2)C1c1ccccc1Cl)c1ccco1.

What is the InChIKey of 2-(2-chlorophenyl)-3-(furan-2-carbonyl)-1-[2-(furan-2-yl)-2-morpholin-4-ylethyl]-4-hydroxy-2H-pyrrol-5-one?

The InChIKey is BRRKSZZREQVCTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN2O6/c26-17-6-2-1-5-16(17)22-21(23(29)20-8-4-12-34-20)24(30)25(31)28(22)15-18(19-7-3-11-33-19)27-9-13-32-14-10-27/h1-8,11-12,18,22,30H,9-10,13-15H2.

What are the key properties of 2-(2-chlorophenyl)-3-(furan-2-carbonyl)-1-[2-(furan-2-yl)-2-morpholin-4-ylethyl]-4-hydroxy-2H-pyrrol-5-one?

2-(2-chlorophenyl)-3-(furan-2-carbonyl)-1-[2-(furan-2-yl)-2-morpholin-4-ylethyl]-4-hydroxy-2H-pyrrol-5-one has a molecular weight of 482.92 g/mol, XLogP of 4.18, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-chlorophenyl)-3-(furan-2-carbonyl)-1-[2-(furan-2-yl)-2-morpholin-4-ylethyl]-4-hydroxy-2H-pyrrol-5-one is sourced from PubChem (CID 21008429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).