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

C24H15ClFNO3 — CID 18809538

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

1-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18809538) has the molecular formula C24H15ClFNO3 and a molecular weight of 419.84 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

• Compound Name: 1-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
• PubChem CID: 18809538
• Molecular Formula: C24H15ClFNO3
• Molecular Weight: 419.84 g/mol
• Exact Mass: 419.07
• IUPAC Name: 1-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
• SMILES: O=C1c2oc3ccccc3c(=O)c2C(c2ccc(Cl)cc2)N1Cc1ccc(F)cc1
• InChI: InChI=1S/C24H15ClFNO3/c25-16-9-7-15(8-10-16)21-20-22(28)18-3-1-2-4-19(18)30-23(20)24(29)27(21)13-14-5-11-17(26)12-6-14/h1-12,21H,13H2
• InChIKey: ZJBUJCJNNICLPT-UHFFFAOYSA-N
• XLogP: 5.33
• TPSA: 50.52 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	419.84
LogP ≤ 5	5.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of 1-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18809538) is 1-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione.

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

The canonical SMILES for 1-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione is O=C1c2oc3ccccc3c(=O)c2C(c2ccc(Cl)cc2)N1Cc1ccc(F)cc1.

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

The InChIKey is ZJBUJCJNNICLPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15ClFNO3/c25-16-9-7-15(8-10-16)21-20-22(28)18-3-1-2-4-19(18)30-23(20)24(29)27(21)13-14-5-11-17(26)12-6-14/h1-12,21H,13H2.

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

1-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 419.84 g/mol, XLogP of 5.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18809538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).