1-(3-bromophenyl)-7-fluoro-2-[(4-methylphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione

C25H17BrFNO3 — CID 2958535

About 1-(3-bromophenyl)-7-fluoro-2-[(4-methylphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione

1-(3-bromophenyl)-7-fluoro-2-[(4-methylphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 2958535) has the molecular formula C25H17BrFNO3 and a molecular weight of 478.32 g/mol. Its IUPAC name is 1-(3-bromophenyl)-7-fluoro-2-[(4-methylphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

• Compound Name: 1-(3-bromophenyl)-7-fluoro-2-[(4-methylphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
• PubChem CID: 2958535
• Molecular Formula: C25H17BrFNO3
• Molecular Weight: 478.32 g/mol
• Exact Mass: 477.04
• IUPAC Name: 1-(3-bromophenyl)-7-fluoro-2-[(4-methylphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
• SMILES: Cc1ccc(CN2C(=O)c3oc4ccc(F)cc4c(=O)c3C2c2cccc(Br)c2)cc1
• InChI: InChI=1S/C25H17BrFNO3/c1-14-5-7-15(8-6-14)13-28-22(16-3-2-4-17(26)11-16)21-23(29)19-12-18(27)9-10-20(19)31-24(21)25(28)30/h2-12,22H,13H2,1H3
• InChIKey: JMEBGYPEDIDFDI-UHFFFAOYSA-N
• XLogP: 5.75
• 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	478.32
LogP ≤ 5	5.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-7-fluoro-2-[(4-methylphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The IUPAC name of 1-(3-bromophenyl)-7-fluoro-2-[(4-methylphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 2958535) is 1-(3-bromophenyl)-7-fluoro-2-[(4-methylphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione.

What is the SMILES notation for 1-(3-bromophenyl)-7-fluoro-2-[(4-methylphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The canonical SMILES for 1-(3-bromophenyl)-7-fluoro-2-[(4-methylphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione is Cc1ccc(CN2C(=O)c3oc4ccc(F)cc4c(=O)c3C2c2cccc(Br)c2)cc1.

What is the InChIKey of 1-(3-bromophenyl)-7-fluoro-2-[(4-methylphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The InChIKey is JMEBGYPEDIDFDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17BrFNO3/c1-14-5-7-15(8-6-14)13-28-22(16-3-2-4-17(26)11-16)21-23(29)19-12-18(27)9-10-20(19)31-24(21)25(28)30/h2-12,22H,13H2,1H3.

What are the key properties of 1-(3-bromophenyl)-7-fluoro-2-[(4-methylphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?

1-(3-bromophenyl)-7-fluoro-2-[(4-methylphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 478.32 g/mol, XLogP of 5.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3-bromophenyl)-7-fluoro-2-[(4-methylphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 2958535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).