(4Z)-1-(3-chlorophenyl)-4-[hydroxy(naphthalen-1-yl)methylidene]-5-(5-methylfuran-2-yl)pyrrolidine-2,3-dione

C26H18ClNO4 — CID 108659035

About (4Z)-1-(3-chlorophenyl)-4-[hydroxy(naphthalen-1-yl)methylidene]-5-(5-methylfuran-2-yl)pyrrolidine-2,3-dione

(4Z)-1-(3-chlorophenyl)-4-[hydroxy(naphthalen-1-yl)methylidene]-5-(5-methylfuran-2-yl)pyrrolidine-2,3-dione (PubChem CID 108659035) has the molecular formula C26H18ClNO4 and a molecular weight of 443.89 g/mol. Its IUPAC name is (4Z)-1-(3-chlorophenyl)-4-[hydroxy(naphthalen-1-yl)methylidene]-5-(5-methylfuran-2-yl)pyrrolidine-2,3-dione.

Molecular Properties

• Compound Name: (4Z)-1-(3-chlorophenyl)-4-[hydroxy(naphthalen-1-yl)methylidene]-5-(5-methylfuran-2-yl)pyrrolidine-2,3-dione
• PubChem CID: 108659035
• Molecular Formula: C26H18ClNO4
• Molecular Weight: 443.89 g/mol
• Exact Mass: 443.09
• IUPAC Name: (4Z)-1-(3-chlorophenyl)-4-[hydroxy(naphthalen-1-yl)methylidene]-5-(5-methylfuran-2-yl)pyrrolidine-2,3-dione
• SMILES: Cc1ccc(C2/C(=C(/O)c3cccc4ccccc34)C(=O)C(=O)N2c2cccc(Cl)c2)o1
• InChI: InChI=1S/C26H18ClNO4/c1-15-12-13-21(32-15)23-22(24(29)20-11-4-7-16-6-2-3-10-19(16)20)25(30)26(31)28(23)18-9-5-8-17(27)14-18/h2-14,23,29H,1H3/b24-22-
• InChIKey: RMMWHVWVOWLVOF-GYHWCHFESA-N
• XLogP: 6.02
• TPSA: 70.75 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	443.89
LogP ≤ 5	6.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (4Z)-1-(3-chlorophenyl)-4-[hydroxy(naphthalen-1-yl)methylidene]-5-(5-methylfuran-2-yl)pyrrolidine-2,3-dione?

The IUPAC name of (4Z)-1-(3-chlorophenyl)-4-[hydroxy(naphthalen-1-yl)methylidene]-5-(5-methylfuran-2-yl)pyrrolidine-2,3-dione (CID 108659035) is (4Z)-1-(3-chlorophenyl)-4-[hydroxy(naphthalen-1-yl)methylidene]-5-(5-methylfuran-2-yl)pyrrolidine-2,3-dione.

What is the SMILES notation for (4Z)-1-(3-chlorophenyl)-4-[hydroxy(naphthalen-1-yl)methylidene]-5-(5-methylfuran-2-yl)pyrrolidine-2,3-dione?

The canonical SMILES for (4Z)-1-(3-chlorophenyl)-4-[hydroxy(naphthalen-1-yl)methylidene]-5-(5-methylfuran-2-yl)pyrrolidine-2,3-dione is Cc1ccc(C2/C(=C(/O)c3cccc4ccccc34)C(=O)C(=O)N2c2cccc(Cl)c2)o1.

What is the InChIKey of (4Z)-1-(3-chlorophenyl)-4-[hydroxy(naphthalen-1-yl)methylidene]-5-(5-methylfuran-2-yl)pyrrolidine-2,3-dione?

The InChIKey is RMMWHVWVOWLVOF-GYHWCHFESA-N. The full InChI is InChI=1S/C26H18ClNO4/c1-15-12-13-21(32-15)23-22(24(29)20-11-4-7-16-6-2-3-10-19(16)20)25(30)26(31)28(23)18-9-5-8-17(27)14-18/h2-14,23,29H,1H3/b24-22-.

What are the key properties of (4Z)-1-(3-chlorophenyl)-4-[hydroxy(naphthalen-1-yl)methylidene]-5-(5-methylfuran-2-yl)pyrrolidine-2,3-dione?

(4Z)-1-(3-chlorophenyl)-4-[hydroxy(naphthalen-1-yl)methylidene]-5-(5-methylfuran-2-yl)pyrrolidine-2,3-dione has a molecular weight of 443.89 g/mol, XLogP of 6.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (4Z)-1-(3-chlorophenyl)-4-[hydroxy(naphthalen-1-yl)methylidene]-5-(5-methylfuran-2-yl)pyrrolidine-2,3-dione is sourced from PubChem (CID 108659035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).