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

C22H13BrFNO4 — CID 3692045

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

7-bromo-1-(3-fluorophenyl)-2-(furan-2-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 3692045) has the molecular formula C22H13BrFNO4 and a molecular weight of 454.25 g/mol. Its IUPAC name is 7-bromo-1-(3-fluorophenyl)-2-(furan-2-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

• Compound Name: 7-bromo-1-(3-fluorophenyl)-2-(furan-2-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
• PubChem CID: 3692045
• Molecular Formula: C22H13BrFNO4
• Molecular Weight: 454.25 g/mol
• Exact Mass: 453.00
• IUPAC Name: 7-bromo-1-(3-fluorophenyl)-2-(furan-2-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
• SMILES: O=C1c2oc3ccc(Br)cc3c(=O)c2C(c2cccc(F)c2)N1Cc1ccco1
• InChI: InChI=1S/C22H13BrFNO4/c23-13-6-7-17-16(10-13)20(26)18-19(12-3-1-4-14(24)9-12)25(22(27)21(18)29-17)11-15-5-2-8-28-15/h1-10,19H,11H2
• InChIKey: RFSMANOWJOMHOF-UHFFFAOYSA-N
• XLogP: 5.03
• TPSA: 63.66 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	454.25
LogP ≤ 5	5.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 7-bromo-1-(3-fluorophenyl)-2-(furan-2-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 3692045) is 7-bromo-1-(3-fluorophenyl)-2-(furan-2-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

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

The canonical SMILES for 7-bromo-1-(3-fluorophenyl)-2-(furan-2-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is O=C1c2oc3ccc(Br)cc3c(=O)c2C(c2cccc(F)c2)N1Cc1ccco1.

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

The InChIKey is RFSMANOWJOMHOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13BrFNO4/c23-13-6-7-17-16(10-13)20(26)18-19(12-3-1-4-14(24)9-12)25(22(27)21(18)29-17)11-15-5-2-8-28-15/h1-10,19H,11H2.

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

7-bromo-1-(3-fluorophenyl)-2-(furan-2-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 454.25 g/mol, XLogP of 5.03, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 7-bromo-1-(3-fluorophenyl)-2-(furan-2-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 3692045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).