7-bromo-2-(3-chloro-4-methoxyphenyl)-1-(3,4-dichlorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C24H13BrCl3NO4 — CID 18854436

About 7-bromo-2-(3-chloro-4-methoxyphenyl)-1-(3,4-dichlorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

7-bromo-2-(3-chloro-4-methoxyphenyl)-1-(3,4-dichlorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18854436) has the molecular formula C24H13BrCl3NO4 and a molecular weight of 565.63 g/mol. Its IUPAC name is 7-bromo-2-(3-chloro-4-methoxyphenyl)-1-(3,4-dichlorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

• Compound Name: 7-bromo-2-(3-chloro-4-methoxyphenyl)-1-(3,4-dichlorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
• PubChem CID: 18854436
• Molecular Formula: C24H13BrCl3NO4
• Molecular Weight: 565.63 g/mol
• Exact Mass: 562.91
• IUPAC Name: 7-bromo-2-(3-chloro-4-methoxyphenyl)-1-(3,4-dichlorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
• SMILES: COc1ccc(N2C(=O)c3oc4ccc(Br)cc4c(=O)c3C2c2ccc(Cl)c(Cl)c2)cc1Cl
• InChI: InChI=1S/C24H13BrCl3NO4/c1-32-19-7-4-13(10-17(19)28)29-21(11-2-5-15(26)16(27)8-11)20-22(30)14-9-12(25)3-6-18(14)33-23(20)24(29)31/h2-10,21H,1H3
• InChIKey: ZHERVPJPHKFHMT-UHFFFAOYSA-N
• XLogP: 7.27
• TPSA: 59.75 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	565.63
LogP ≤ 5	7.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 7-bromo-2-(3-chloro-4-methoxyphenyl)-1-(3,4-dichlorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18854436) is 7-bromo-2-(3-chloro-4-methoxyphenyl)-1-(3,4-dichlorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

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

The canonical SMILES for 7-bromo-2-(3-chloro-4-methoxyphenyl)-1-(3,4-dichlorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is COc1ccc(N2C(=O)c3oc4ccc(Br)cc4c(=O)c3C2c2ccc(Cl)c(Cl)c2)cc1Cl.

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

The InChIKey is ZHERVPJPHKFHMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H13BrCl3NO4/c1-32-19-7-4-13(10-17(19)28)29-21(11-2-5-15(26)16(27)8-11)20-22(30)14-9-12(25)3-6-18(14)33-23(20)24(29)31/h2-10,21H,1H3.

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

7-bromo-2-(3-chloro-4-methoxyphenyl)-1-(3,4-dichlorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 565.63 g/mol, XLogP of 7.27, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 7-bromo-2-(3-chloro-4-methoxyphenyl)-1-(3,4-dichlorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18854436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).