1-(3-bromophenyl)-2-(3-chlorophenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

C25H17BrClNO3 — CID 18856387

About 1-(3-bromophenyl)-2-(3-chlorophenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

1-(3-bromophenyl)-2-(3-chlorophenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18856387) has the molecular formula C25H17BrClNO3 and a molecular weight of 494.77 g/mol. Its IUPAC name is 1-(3-bromophenyl)-2-(3-chlorophenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

• Compound Name: 1-(3-bromophenyl)-2-(3-chlorophenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
• PubChem CID: 18856387
• Molecular Formula: C25H17BrClNO3
• Molecular Weight: 494.77 g/mol
• Exact Mass: 493.01
• IUPAC Name: 1-(3-bromophenyl)-2-(3-chlorophenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
• SMILES: Cc1cc2oc3c(c(=O)c2cc1C)C(c1cccc(Br)c1)N(c1cccc(Cl)c1)C3=O
• InChI: InChI=1S/C25H17BrClNO3/c1-13-9-19-20(10-14(13)2)31-24-21(23(19)29)22(15-5-3-6-16(26)11-15)28(25(24)30)18-8-4-7-17(27)12-18/h3-12,22H,1-2H3
• InChIKey: RZGIZPXHTHENEA-UHFFFAOYSA-N
• XLogP: 6.58
• TPSA: 50.52 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	494.77
LogP ≤ 5	6.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of 1-(3-bromophenyl)-2-(3-chlorophenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18856387) is 1-(3-bromophenyl)-2-(3-chlorophenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

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

The canonical SMILES for 1-(3-bromophenyl)-2-(3-chlorophenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is Cc1cc2oc3c(c(=O)c2cc1C)C(c1cccc(Br)c1)N(c1cccc(Cl)c1)C3=O.

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

The InChIKey is RZGIZPXHTHENEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17BrClNO3/c1-13-9-19-20(10-14(13)2)31-24-21(23(19)29)22(15-5-3-6-16(26)11-15)28(25(24)30)18-8-4-7-17(27)12-18/h3-12,22H,1-2H3.

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

1-(3-bromophenyl)-2-(3-chlorophenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 494.77 g/mol, XLogP of 6.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3-bromophenyl)-2-(3-chlorophenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18856387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).