1-(3-chloro-2-methylphenyl)-3-(2,3-dihydroindol-1-yl)-4-thiophen-2-ylpyrrole-2,5-dione

C23H17ClN2O2S — CID 110553995

About 1-(3-chloro-2-methylphenyl)-3-(2,3-dihydroindol-1-yl)-4-thiophen-2-ylpyrrole-2,5-dione

1-(3-chloro-2-methylphenyl)-3-(2,3-dihydroindol-1-yl)-4-thiophen-2-ylpyrrole-2,5-dione (PubChem CID 110553995) has the molecular formula C23H17ClN2O2S and a molecular weight of 420.92 g/mol. Its IUPAC name is 1-(3-chloro-2-methylphenyl)-3-(2,3-dihydroindol-1-yl)-4-thiophen-2-ylpyrrole-2,5-dione.

Molecular Properties

• Compound Name: 1-(3-chloro-2-methylphenyl)-3-(2,3-dihydroindol-1-yl)-4-thiophen-2-ylpyrrole-2,5-dione
• PubChem CID: 110553995
• Molecular Formula: C23H17ClN2O2S
• Molecular Weight: 420.92 g/mol
• Exact Mass: 420.07
• IUPAC Name: 1-(3-chloro-2-methylphenyl)-3-(2,3-dihydroindol-1-yl)-4-thiophen-2-ylpyrrole-2,5-dione
• SMILES: Cc1c(Cl)cccc1N1C(=O)C(c2cccs2)=C(N2CCc3ccccc32)C1=O
• InChI: InChI=1S/C23H17ClN2O2S/c1-14-16(24)7-4-9-17(14)26-22(27)20(19-10-5-13-29-19)21(23(26)28)25-12-11-15-6-2-3-8-18(15)25/h2-10,13H,11-12H2,1H3
• InChIKey: ZURJEEVCYMXXME-UHFFFAOYSA-N
• XLogP: 5.06
• TPSA: 40.62 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	420.92
LogP ≤ 5	5.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-methylphenyl)-3-(2,3-dihydroindol-1-yl)-4-thiophen-2-ylpyrrole-2,5-dione?

The IUPAC name of 1-(3-chloro-2-methylphenyl)-3-(2,3-dihydroindol-1-yl)-4-thiophen-2-ylpyrrole-2,5-dione (CID 110553995) is 1-(3-chloro-2-methylphenyl)-3-(2,3-dihydroindol-1-yl)-4-thiophen-2-ylpyrrole-2,5-dione.

What is the SMILES notation for 1-(3-chloro-2-methylphenyl)-3-(2,3-dihydroindol-1-yl)-4-thiophen-2-ylpyrrole-2,5-dione?

The canonical SMILES for 1-(3-chloro-2-methylphenyl)-3-(2,3-dihydroindol-1-yl)-4-thiophen-2-ylpyrrole-2,5-dione is Cc1c(Cl)cccc1N1C(=O)C(c2cccs2)=C(N2CCc3ccccc32)C1=O.

What is the InChIKey of 1-(3-chloro-2-methylphenyl)-3-(2,3-dihydroindol-1-yl)-4-thiophen-2-ylpyrrole-2,5-dione?

The InChIKey is ZURJEEVCYMXXME-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClN2O2S/c1-14-16(24)7-4-9-17(14)26-22(27)20(19-10-5-13-29-19)21(23(26)28)25-12-11-15-6-2-3-8-18(15)25/h2-10,13H,11-12H2,1H3.

What are the key properties of 1-(3-chloro-2-methylphenyl)-3-(2,3-dihydroindol-1-yl)-4-thiophen-2-ylpyrrole-2,5-dione?

1-(3-chloro-2-methylphenyl)-3-(2,3-dihydroindol-1-yl)-4-thiophen-2-ylpyrrole-2,5-dione has a molecular weight of 420.92 g/mol, XLogP of 5.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3-chloro-2-methylphenyl)-3-(2,3-dihydroindol-1-yl)-4-thiophen-2-ylpyrrole-2,5-dione is sourced from PubChem (CID 110553995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).