7-bromo-1-(2-fluorophenyl)-2-(3-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C24H15BrFNO3 — CID 18854871

About 7-bromo-1-(2-fluorophenyl)-2-(3-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

7-bromo-1-(2-fluorophenyl)-2-(3-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18854871) has the molecular formula C24H15BrFNO3 and a molecular weight of 464.29 g/mol. Its IUPAC name is 7-bromo-1-(2-fluorophenyl)-2-(3-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

• Compound Name: 7-bromo-1-(2-fluorophenyl)-2-(3-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
• PubChem CID: 18854871
• Molecular Formula: C24H15BrFNO3
• Molecular Weight: 464.29 g/mol
• Exact Mass: 463.02
• IUPAC Name: 7-bromo-1-(2-fluorophenyl)-2-(3-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
• SMILES: Cc1cccc(N2C(=O)c3oc4ccc(Br)cc4c(=O)c3C2c2ccccc2F)c1
• InChI: InChI=1S/C24H15BrFNO3/c1-13-5-4-6-15(11-13)27-21(16-7-2-3-8-18(16)26)20-22(28)17-12-14(25)9-10-19(17)30-23(20)24(27)29/h2-12,21H,1H3
• InChIKey: IKLDZKJYIFYEFY-UHFFFAOYSA-N
• XLogP: 5.75
• TPSA: 50.52 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	464.29
LogP ≤ 5	5.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of 7-bromo-1-(2-fluorophenyl)-2-(3-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18854871) is 7-bromo-1-(2-fluorophenyl)-2-(3-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

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

The canonical SMILES for 7-bromo-1-(2-fluorophenyl)-2-(3-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is Cc1cccc(N2C(=O)c3oc4ccc(Br)cc4c(=O)c3C2c2ccccc2F)c1.

What is the InChIKey of 7-bromo-1-(2-fluorophenyl)-2-(3-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The InChIKey is IKLDZKJYIFYEFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15BrFNO3/c1-13-5-4-6-15(11-13)27-21(16-7-2-3-8-18(16)26)20-22(28)17-12-14(25)9-10-19(17)30-23(20)24(27)29/h2-12,21H,1H3.

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

7-bromo-1-(2-fluorophenyl)-2-(3-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 464.29 g/mol, XLogP of 5.75, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 7-bromo-1-(2-fluorophenyl)-2-(3-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18854871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).