2-benzyl-1-(3,4-dichlorophenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

C26H19Cl2NO3 — CID 2960128

About 2-benzyl-1-(3,4-dichlorophenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

2-benzyl-1-(3,4-dichlorophenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 2960128) has the molecular formula C26H19Cl2NO3 and a molecular weight of 464.35 g/mol. Its IUPAC name is 2-benzyl-1-(3,4-dichlorophenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

• Compound Name: 2-benzyl-1-(3,4-dichlorophenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
• PubChem CID: 2960128
• Molecular Formula: C26H19Cl2NO3
• Molecular Weight: 464.35 g/mol
• Exact Mass: 463.07
• IUPAC Name: 2-benzyl-1-(3,4-dichlorophenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
• SMILES: Cc1cc2oc3c(c(=O)c2cc1C)C(c1ccc(Cl)c(Cl)c1)N(Cc1ccccc1)C3=O
• InChI: InChI=1S/C26H19Cl2NO3/c1-14-10-18-21(11-15(14)2)32-25-22(24(18)30)23(17-8-9-19(27)20(28)12-17)29(26(25)31)13-16-6-4-3-5-7-16/h3-12,23H,13H2,1-2H3
• InChIKey: PPKGXBBTIDGERU-UHFFFAOYSA-N
• XLogP: 6.46
• TPSA: 50.52 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	464.35
LogP ≤ 5	6.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1-(3,4-dichlorophenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The IUPAC name of 2-benzyl-1-(3,4-dichlorophenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 2960128) is 2-benzyl-1-(3,4-dichlorophenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

What is the SMILES notation for 2-benzyl-1-(3,4-dichlorophenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The canonical SMILES for 2-benzyl-1-(3,4-dichlorophenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is Cc1cc2oc3c(c(=O)c2cc1C)C(c1ccc(Cl)c(Cl)c1)N(Cc1ccccc1)C3=O.

What is the InChIKey of 2-benzyl-1-(3,4-dichlorophenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The InChIKey is PPKGXBBTIDGERU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19Cl2NO3/c1-14-10-18-21(11-15(14)2)32-25-22(24(18)30)23(17-8-9-19(27)20(28)12-17)29(26(25)31)13-16-6-4-3-5-7-16/h3-12,23H,13H2,1-2H3.

What are the key properties of 2-benzyl-1-(3,4-dichlorophenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?

2-benzyl-1-(3,4-dichlorophenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 464.35 g/mol, XLogP of 6.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-benzyl-1-(3,4-dichlorophenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 2960128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).