2-benzyl-1-(3-bromophenyl)-5,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

C26H20BrNO3 — CID 18880942

About 2-benzyl-1-(3-bromophenyl)-5,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

2-benzyl-1-(3-bromophenyl)-5,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18880942) has the molecular formula C26H20BrNO3 and a molecular weight of 474.35 g/mol. Its IUPAC name is 2-benzyl-1-(3-bromophenyl)-5,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

• Compound Name: 2-benzyl-1-(3-bromophenyl)-5,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
• PubChem CID: 18880942
• Molecular Formula: C26H20BrNO3
• Molecular Weight: 474.35 g/mol
• Exact Mass: 473.06
• IUPAC Name: 2-benzyl-1-(3-bromophenyl)-5,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
• SMILES: Cc1cc(C)c2oc3c(c(=O)c2c1)C(c1cccc(Br)c1)N(Cc1ccccc1)C3=O
• InChI: InChI=1S/C26H20BrNO3/c1-15-11-16(2)24-20(12-15)23(29)21-22(18-9-6-10-19(27)13-18)28(26(30)25(21)31-24)14-17-7-4-3-5-8-17/h3-13,22H,14H2,1-2H3
• InChIKey: FISQRFPIAHZOGU-UHFFFAOYSA-N
• XLogP: 5.92
• TPSA: 50.52 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	474.35
LogP ≤ 5	5.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1-(3-bromophenyl)-5,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The IUPAC name of 2-benzyl-1-(3-bromophenyl)-5,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18880942) is 2-benzyl-1-(3-bromophenyl)-5,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

What is the SMILES notation for 2-benzyl-1-(3-bromophenyl)-5,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The canonical SMILES for 2-benzyl-1-(3-bromophenyl)-5,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is Cc1cc(C)c2oc3c(c(=O)c2c1)C(c1cccc(Br)c1)N(Cc1ccccc1)C3=O.

What is the InChIKey of 2-benzyl-1-(3-bromophenyl)-5,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The InChIKey is FISQRFPIAHZOGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20BrNO3/c1-15-11-16(2)24-20(12-15)23(29)21-22(18-9-6-10-19(27)13-18)28(26(30)25(21)31-24)14-17-7-4-3-5-8-17/h3-13,22H,14H2,1-2H3.

What are the key properties of 2-benzyl-1-(3-bromophenyl)-5,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?

2-benzyl-1-(3-bromophenyl)-5,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 474.35 g/mol, XLogP of 5.92, 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-bromophenyl)-5,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18880942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).