7-bromo-2-[(4-fluorophenyl)methyl]-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C27H21BrFNO4 — CID 18810547

About 7-bromo-2-[(4-fluorophenyl)methyl]-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

7-bromo-2-[(4-fluorophenyl)methyl]-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18810547) has the molecular formula C27H21BrFNO4 and a molecular weight of 522.37 g/mol. Its IUPAC name is 7-bromo-2-[(4-fluorophenyl)methyl]-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

• Compound Name: 7-bromo-2-[(4-fluorophenyl)methyl]-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
• PubChem CID: 18810547
• Molecular Formula: C27H21BrFNO4
• Molecular Weight: 522.37 g/mol
• Exact Mass: 521.06
• IUPAC Name: 7-bromo-2-[(4-fluorophenyl)methyl]-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
• SMILES: CCCOc1ccc(C2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2Cc2ccc(F)cc2)cc1
• InChI: InChI=1S/C27H21BrFNO4/c1-2-13-33-20-10-5-17(6-11-20)24-23-25(31)21-14-18(28)7-12-22(21)34-26(23)27(32)30(24)15-16-3-8-19(29)9-4-16/h3-12,14,24H,2,13,15H2,1H3
• InChIKey: LGZFHTMAWNVYJZ-UHFFFAOYSA-N
• XLogP: 6.23
• TPSA: 59.75 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	522.37
LogP ≤ 5	6.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 7-bromo-2-[(4-fluorophenyl)methyl]-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18810547) is 7-bromo-2-[(4-fluorophenyl)methyl]-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

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

The canonical SMILES for 7-bromo-2-[(4-fluorophenyl)methyl]-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is CCCOc1ccc(C2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2Cc2ccc(F)cc2)cc1.

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

The InChIKey is LGZFHTMAWNVYJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21BrFNO4/c1-2-13-33-20-10-5-17(6-11-20)24-23-25(31)21-14-18(28)7-12-22(21)34-26(23)27(32)30(24)15-16-3-8-19(29)9-4-16/h3-12,14,24H,2,13,15H2,1H3.

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

7-bromo-2-[(4-fluorophenyl)methyl]-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 522.37 g/mol, XLogP of 6.23, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 7-bromo-2-[(4-fluorophenyl)methyl]-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18810547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).