7-chloro-1-(4-methoxyphenyl)-2-[3-(trifluoromethyl)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione

C25H15ClF3NO4 — CID 18853491

About 7-chloro-1-(4-methoxyphenyl)-2-[3-(trifluoromethyl)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione

7-chloro-1-(4-methoxyphenyl)-2-[3-(trifluoromethyl)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18853491) has the molecular formula C25H15ClF3NO4 and a molecular weight of 485.85 g/mol. Its IUPAC name is 7-chloro-1-(4-methoxyphenyl)-2-[3-(trifluoromethyl)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

• Compound Name: 7-chloro-1-(4-methoxyphenyl)-2-[3-(trifluoromethyl)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
• PubChem CID: 18853491
• Molecular Formula: C25H15ClF3NO4
• Molecular Weight: 485.85 g/mol
• Exact Mass: 485.06
• IUPAC Name: 7-chloro-1-(4-methoxyphenyl)-2-[3-(trifluoromethyl)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
• SMILES: COc1ccc(C2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2cccc(C(F)(F)F)c2)cc1
• InChI: InChI=1S/C25H15ClF3NO4/c1-33-17-8-5-13(6-9-17)21-20-22(31)18-12-15(26)7-10-19(18)34-23(20)24(32)30(21)16-4-2-3-14(11-16)25(27,28)29/h2-12,21H,1H3
• InChIKey: JAHFJDLECONWAC-UHFFFAOYSA-N
• XLogP: 6.22
• TPSA: 59.75 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	485.85
LogP ≤ 5	6.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 7-chloro-1-(4-methoxyphenyl)-2-[3-(trifluoromethyl)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18853491) is 7-chloro-1-(4-methoxyphenyl)-2-[3-(trifluoromethyl)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione.

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

The canonical SMILES for 7-chloro-1-(4-methoxyphenyl)-2-[3-(trifluoromethyl)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione is COc1ccc(C2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2cccc(C(F)(F)F)c2)cc1.

What is the InChIKey of 7-chloro-1-(4-methoxyphenyl)-2-[3-(trifluoromethyl)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The InChIKey is JAHFJDLECONWAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H15ClF3NO4/c1-33-17-8-5-13(6-9-17)21-20-22(31)18-12-15(26)7-10-19(18)34-23(20)24(32)30(21)16-4-2-3-14(11-16)25(27,28)29/h2-12,21H,1H3.

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

7-chloro-1-(4-methoxyphenyl)-2-[3-(trifluoromethyl)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 485.85 g/mol, XLogP of 6.22, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 7-chloro-1-(4-methoxyphenyl)-2-[3-(trifluoromethyl)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18853491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).