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

C26H20FNO3 — CID 18855645

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

1-(4-ethylphenyl)-7-fluoro-2-(3-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18855645) has the molecular formula C26H20FNO3 and a molecular weight of 413.45 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-7-fluoro-2-(3-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

• Compound Name: 1-(4-ethylphenyl)-7-fluoro-2-(3-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
• PubChem CID: 18855645
• Molecular Formula: C26H20FNO3
• Molecular Weight: 413.45 g/mol
• Exact Mass: 413.14
• IUPAC Name: 1-(4-ethylphenyl)-7-fluoro-2-(3-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
• SMILES: CCc1ccc(C2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2cccc(C)c2)cc1
• InChI: InChI=1S/C26H20FNO3/c1-3-16-7-9-17(10-8-16)23-22-24(29)20-14-18(27)11-12-21(20)31-25(22)26(30)28(23)19-6-4-5-15(2)13-19/h4-14,23H,3H2,1-2H3
• InChIKey: ZVBSTUOABRKVGH-UHFFFAOYSA-N
• XLogP: 5.55
• 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	413.45
LogP ≤ 5	5.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of 1-(4-ethylphenyl)-7-fluoro-2-(3-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18855645) is 1-(4-ethylphenyl)-7-fluoro-2-(3-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

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

The canonical SMILES for 1-(4-ethylphenyl)-7-fluoro-2-(3-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is CCc1ccc(C2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2cccc(C)c2)cc1.

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

The InChIKey is ZVBSTUOABRKVGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20FNO3/c1-3-16-7-9-17(10-8-16)23-22-24(29)20-14-18(27)11-12-21(20)31-25(22)26(30)28(23)19-6-4-5-15(2)13-19/h4-14,23H,3H2,1-2H3.

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

1-(4-ethylphenyl)-7-fluoro-2-(3-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 413.45 g/mol, XLogP of 5.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-ethylphenyl)-7-fluoro-2-(3-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18855645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).