1-(3,5-dichlorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-(3-hydroxyphenyl)-2H-pyrrol-5-one

C21H13Cl2NO5 — CID 108681838

About 1-(3,5-dichlorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-(3-hydroxyphenyl)-2H-pyrrol-5-one

1-(3,5-dichlorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-(3-hydroxyphenyl)-2H-pyrrol-5-one (PubChem CID 108681838) has the molecular formula C21H13Cl2NO5 and a molecular weight of 430.24 g/mol. Its IUPAC name is 1-(3,5-dichlorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-(3-hydroxyphenyl)-2H-pyrrol-5-one.

Molecular Properties

• Compound Name: 1-(3,5-dichlorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-(3-hydroxyphenyl)-2H-pyrrol-5-one
• PubChem CID: 108681838
• Molecular Formula: C21H13Cl2NO5
• Molecular Weight: 430.24 g/mol
• Exact Mass: 429.02
• IUPAC Name: 1-(3,5-dichlorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-(3-hydroxyphenyl)-2H-pyrrol-5-one
• SMILES: O=C(C1=C(O)C(=O)N(c2cc(Cl)cc(Cl)c2)C1c1cccc(O)c1)c1ccco1
• InChI: InChI=1S/C21H13Cl2NO5/c22-12-8-13(23)10-14(9-12)24-18(11-3-1-4-15(25)7-11)17(20(27)21(24)28)19(26)16-5-2-6-29-16/h1-10,18,25,27H
• InChIKey: ZXUMOPKEIGLZHF-UHFFFAOYSA-N
• XLogP: 5.07
• TPSA: 90.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	430.24
LogP ≤ 5	5.07
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichlorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-(3-hydroxyphenyl)-2H-pyrrol-5-one?

The IUPAC name of 1-(3,5-dichlorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-(3-hydroxyphenyl)-2H-pyrrol-5-one (CID 108681838) is 1-(3,5-dichlorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-(3-hydroxyphenyl)-2H-pyrrol-5-one.

What is the SMILES notation for 1-(3,5-dichlorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-(3-hydroxyphenyl)-2H-pyrrol-5-one?

The canonical SMILES for 1-(3,5-dichlorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-(3-hydroxyphenyl)-2H-pyrrol-5-one is O=C(C1=C(O)C(=O)N(c2cc(Cl)cc(Cl)c2)C1c1cccc(O)c1)c1ccco1.

What is the InChIKey of 1-(3,5-dichlorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-(3-hydroxyphenyl)-2H-pyrrol-5-one?

The InChIKey is ZXUMOPKEIGLZHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13Cl2NO5/c22-12-8-13(23)10-14(9-12)24-18(11-3-1-4-15(25)7-11)17(20(27)21(24)28)19(26)16-5-2-6-29-16/h1-10,18,25,27H.

What are the key properties of 1-(3,5-dichlorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-(3-hydroxyphenyl)-2H-pyrrol-5-one?

1-(3,5-dichlorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-(3-hydroxyphenyl)-2H-pyrrol-5-one has a molecular weight of 430.24 g/mol, XLogP of 5.07, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3,5-dichlorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-(3-hydroxyphenyl)-2H-pyrrol-5-one is sourced from PubChem (CID 108681838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).