(4Z)-1-(4-chloro-2-methylphenyl)-5-(furan-2-yl)-4-[hydroxy(1H-indol-3-yl)methylidene]pyrrolidine-2,3-dione

C24H17ClN2O4 — CID 108655200

About (4Z)-1-(4-chloro-2-methylphenyl)-5-(furan-2-yl)-4-[hydroxy(1H-indol-3-yl)methylidene]pyrrolidine-2,3-dione

(4Z)-1-(4-chloro-2-methylphenyl)-5-(furan-2-yl)-4-[hydroxy(1H-indol-3-yl)methylidene]pyrrolidine-2,3-dione (PubChem CID 108655200) has the molecular formula C24H17ClN2O4 and a molecular weight of 432.86 g/mol. Its IUPAC name is (4Z)-1-(4-chloro-2-methylphenyl)-5-(furan-2-yl)-4-[hydroxy(1H-indol-3-yl)methylidene]pyrrolidine-2,3-dione.

Molecular Properties

• Compound Name: (4Z)-1-(4-chloro-2-methylphenyl)-5-(furan-2-yl)-4-[hydroxy(1H-indol-3-yl)methylidene]pyrrolidine-2,3-dione
• PubChem CID: 108655200
• Molecular Formula: C24H17ClN2O4
• Molecular Weight: 432.86 g/mol
• Exact Mass: 432.09
• IUPAC Name: (4Z)-1-(4-chloro-2-methylphenyl)-5-(furan-2-yl)-4-[hydroxy(1H-indol-3-yl)methylidene]pyrrolidine-2,3-dione
• SMILES: Cc1cc(Cl)ccc1N1C(=O)C(=O)/C(=C(\O)c2c[nH]c3ccccc23)C1c1ccco1
• InChI: InChI=1S/C24H17ClN2O4/c1-13-11-14(25)8-9-18(13)27-21(19-7-4-10-31-19)20(23(29)24(27)30)22(28)16-12-26-17-6-3-2-5-15(16)17/h2-12,21,26,28H,1H3/b22-20-
• InChIKey: BVXUVTDMQKSVAE-XDOYNYLZSA-N
• XLogP: 5.35
• TPSA: 86.54 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	432.86
LogP ≤ 5	5.35
H-Bond Donors ≤ 5	2
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-(4-chloro-2-methylphenyl)-5-(furan-2-yl)-4-[hydroxy(1H-indol-3-yl)methylidene]pyrrolidine-2,3-dione?

The IUPAC name of (4Z)-1-(4-chloro-2-methylphenyl)-5-(furan-2-yl)-4-[hydroxy(1H-indol-3-yl)methylidene]pyrrolidine-2,3-dione (CID 108655200) is (4Z)-1-(4-chloro-2-methylphenyl)-5-(furan-2-yl)-4-[hydroxy(1H-indol-3-yl)methylidene]pyrrolidine-2,3-dione.

What is the SMILES notation for (4Z)-1-(4-chloro-2-methylphenyl)-5-(furan-2-yl)-4-[hydroxy(1H-indol-3-yl)methylidene]pyrrolidine-2,3-dione?

The canonical SMILES for (4Z)-1-(4-chloro-2-methylphenyl)-5-(furan-2-yl)-4-[hydroxy(1H-indol-3-yl)methylidene]pyrrolidine-2,3-dione is Cc1cc(Cl)ccc1N1C(=O)C(=O)/C(=C(\O)c2c[nH]c3ccccc23)C1c1ccco1.

What is the InChIKey of (4Z)-1-(4-chloro-2-methylphenyl)-5-(furan-2-yl)-4-[hydroxy(1H-indol-3-yl)methylidene]pyrrolidine-2,3-dione?

The InChIKey is BVXUVTDMQKSVAE-XDOYNYLZSA-N. The full InChI is InChI=1S/C24H17ClN2O4/c1-13-11-14(25)8-9-18(13)27-21(19-7-4-10-31-19)20(23(29)24(27)30)22(28)16-12-26-17-6-3-2-5-15(16)17/h2-12,21,26,28H,1H3/b22-20-.

What are the key properties of (4Z)-1-(4-chloro-2-methylphenyl)-5-(furan-2-yl)-4-[hydroxy(1H-indol-3-yl)methylidene]pyrrolidine-2,3-dione?

(4Z)-1-(4-chloro-2-methylphenyl)-5-(furan-2-yl)-4-[hydroxy(1H-indol-3-yl)methylidene]pyrrolidine-2,3-dione has a molecular weight of 432.86 g/mol, XLogP of 5.35, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (4Z)-1-(4-chloro-2-methylphenyl)-5-(furan-2-yl)-4-[hydroxy(1H-indol-3-yl)methylidene]pyrrolidine-2,3-dione is sourced from PubChem (CID 108655200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).