N-(2-chloro-4-methylphenyl)-2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-3-(1,2-dimethylindol-3-yl)-3-oxopropanamide

C25H24ClN3O5 — CID 23562166

About N-(2-chloro-4-methylphenyl)-2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-3-(1,2-dimethylindol-3-yl)-3-oxopropanamide

N-(2-chloro-4-methylphenyl)-2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-3-(1,2-dimethylindol-3-yl)-3-oxopropanamide (PubChem CID 23562166) has the molecular formula C25H24ClN3O5 and a molecular weight of 481.94 g/mol. Its IUPAC name is N-(2-chloro-4-methylphenyl)-2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-3-(1,2-dimethylindol-3-yl)-3-oxopropanamide.

Molecular Properties

• Compound Name: N-(2-chloro-4-methylphenyl)-2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-3-(1,2-dimethylindol-3-yl)-3-oxopropanamide
• PubChem CID: 23562166
• Molecular Formula: C25H24ClN3O5
• Molecular Weight: 481.94 g/mol
• Exact Mass: 481.14
• IUPAC Name: N-(2-chloro-4-methylphenyl)-2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-3-(1,2-dimethylindol-3-yl)-3-oxopropanamide
• SMILES: Cc1ccc(NC(=O)C(C(=O)c2c(C)n(C)c3ccccc23)N2C(=O)OC(C)(C)C2=O)c(Cl)c1
• InChI: InChI=1S/C25H24ClN3O5/c1-13-10-11-17(16(26)12-13)27-22(31)20(29-23(32)25(3,4)34-24(29)33)21(30)19-14(2)28(5)18-9-7-6-8-15(18)19/h6-12,20H,1-5H3,(H,27,31)
• InChIKey: QAOFMXJCQUFOFL-UHFFFAOYSA-N
• XLogP: 4.40
• TPSA: 97.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	481.94
LogP ≤ 5	4.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methylphenyl)-2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-3-(1,2-dimethylindol-3-yl)-3-oxopropanamide?

The IUPAC name of N-(2-chloro-4-methylphenyl)-2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-3-(1,2-dimethylindol-3-yl)-3-oxopropanamide (CID 23562166) is N-(2-chloro-4-methylphenyl)-2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-3-(1,2-dimethylindol-3-yl)-3-oxopropanamide.

What is the SMILES notation for N-(2-chloro-4-methylphenyl)-2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-3-(1,2-dimethylindol-3-yl)-3-oxopropanamide?

The canonical SMILES for N-(2-chloro-4-methylphenyl)-2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-3-(1,2-dimethylindol-3-yl)-3-oxopropanamide is Cc1ccc(NC(=O)C(C(=O)c2c(C)n(C)c3ccccc23)N2C(=O)OC(C)(C)C2=O)c(Cl)c1.

What is the InChIKey of N-(2-chloro-4-methylphenyl)-2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-3-(1,2-dimethylindol-3-yl)-3-oxopropanamide?

The InChIKey is QAOFMXJCQUFOFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN3O5/c1-13-10-11-17(16(26)12-13)27-22(31)20(29-23(32)25(3,4)34-24(29)33)21(30)19-14(2)28(5)18-9-7-6-8-15(18)19/h6-12,20H,1-5H3,(H,27,31).

What are the key properties of N-(2-chloro-4-methylphenyl)-2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-3-(1,2-dimethylindol-3-yl)-3-oxopropanamide?

N-(2-chloro-4-methylphenyl)-2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-3-(1,2-dimethylindol-3-yl)-3-oxopropanamide has a molecular weight of 481.94 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-chloro-4-methylphenyl)-2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-3-(1,2-dimethylindol-3-yl)-3-oxopropanamide is sourced from PubChem (CID 23562166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).