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

C25H17F2NO3 — CID 18809854

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

1-(2-fluorophenyl)-2-[(4-fluorophenyl)methyl]-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18809854) has the molecular formula C25H17F2NO3 and a molecular weight of 417.41 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-2-[(4-fluorophenyl)methyl]-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

• Compound Name: 1-(2-fluorophenyl)-2-[(4-fluorophenyl)methyl]-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
• PubChem CID: 18809854
• Molecular Formula: C25H17F2NO3
• Molecular Weight: 417.41 g/mol
• Exact Mass: 417.12
• IUPAC Name: 1-(2-fluorophenyl)-2-[(4-fluorophenyl)methyl]-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
• SMILES: Cc1ccc2oc3c(c(=O)c2c1)C(c1ccccc1F)N(Cc1ccc(F)cc1)C3=O
• InChI: InChI=1S/C25H17F2NO3/c1-14-6-11-20-18(12-14)23(29)21-22(17-4-2-3-5-19(17)27)28(25(30)24(21)31-20)13-15-7-9-16(26)10-8-15/h2-12,22H,13H2,1H3
• InChIKey: VPJKSBPEAZCWHX-UHFFFAOYSA-N
• XLogP: 5.13
• 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	417.41
LogP ≤ 5	5.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of 1-(2-fluorophenyl)-2-[(4-fluorophenyl)methyl]-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18809854) is 1-(2-fluorophenyl)-2-[(4-fluorophenyl)methyl]-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

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

The canonical SMILES for 1-(2-fluorophenyl)-2-[(4-fluorophenyl)methyl]-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is Cc1ccc2oc3c(c(=O)c2c1)C(c1ccccc1F)N(Cc1ccc(F)cc1)C3=O.

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

The InChIKey is VPJKSBPEAZCWHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17F2NO3/c1-14-6-11-20-18(12-14)23(29)21-22(17-4-2-3-5-19(17)27)28(25(30)24(21)31-20)13-15-7-9-16(26)10-8-15/h2-12,22H,13H2,1H3.

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

1-(2-fluorophenyl)-2-[(4-fluorophenyl)methyl]-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 417.41 g/mol, XLogP of 5.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-fluorophenyl)-2-[(4-fluorophenyl)methyl]-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18809854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).