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

C25H17BrFNO4 — CID 18856003

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

2-(3-bromophenyl)-1-(3-ethoxyphenyl)-7-fluoro-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18856003) has the molecular formula C25H17BrFNO4 and a molecular weight of 494.32 g/mol. Its IUPAC name is 2-(3-bromophenyl)-1-(3-ethoxyphenyl)-7-fluoro-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

• Compound Name: 2-(3-bromophenyl)-1-(3-ethoxyphenyl)-7-fluoro-1H-chromeno[2,3-c]pyrrole-3,9-dione
• PubChem CID: 18856003
• Molecular Formula: C25H17BrFNO4
• Molecular Weight: 494.32 g/mol
• Exact Mass: 493.03
• IUPAC Name: 2-(3-bromophenyl)-1-(3-ethoxyphenyl)-7-fluoro-1H-chromeno[2,3-c]pyrrole-3,9-dione
• SMILES: CCOc1cccc(C2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2cccc(Br)c2)c1
• InChI: InChI=1S/C25H17BrFNO4/c1-2-31-18-8-3-5-14(11-18)22-21-23(29)19-13-16(27)9-10-20(19)32-24(21)25(30)28(22)17-7-4-6-15(26)12-17/h3-13,22H,2H2,1H3
• InChIKey: ZRQJMBFRTWSSAY-UHFFFAOYSA-N
• XLogP: 5.84
• TPSA: 59.75 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	494.32
LogP ≤ 5	5.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 2-(3-bromophenyl)-1-(3-ethoxyphenyl)-7-fluoro-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18856003) is 2-(3-bromophenyl)-1-(3-ethoxyphenyl)-7-fluoro-1H-chromeno[2,3-c]pyrrole-3,9-dione.

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

The canonical SMILES for 2-(3-bromophenyl)-1-(3-ethoxyphenyl)-7-fluoro-1H-chromeno[2,3-c]pyrrole-3,9-dione is CCOc1cccc(C2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2cccc(Br)c2)c1.

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

The InChIKey is ZRQJMBFRTWSSAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17BrFNO4/c1-2-31-18-8-3-5-14(11-18)22-21-23(29)19-13-16(27)9-10-20(19)32-24(21)25(30)28(22)17-7-4-6-15(26)12-17/h3-13,22H,2H2,1H3.

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

2-(3-bromophenyl)-1-(3-ethoxyphenyl)-7-fluoro-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 494.32 g/mol, XLogP of 5.84, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-bromophenyl)-1-(3-ethoxyphenyl)-7-fluoro-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18856003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).