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

C26H19ClFNO5 — CID 18810283

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

2-[(2-chlorophenyl)methyl]-1-(3,4-dimethoxyphenyl)-7-fluoro-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18810283) has the molecular formula C26H19ClFNO5 and a molecular weight of 479.89 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl]-1-(3,4-dimethoxyphenyl)-7-fluoro-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

• Compound Name: 2-[(2-chlorophenyl)methyl]-1-(3,4-dimethoxyphenyl)-7-fluoro-1H-chromeno[2,3-c]pyrrole-3,9-dione
• PubChem CID: 18810283
• Molecular Formula: C26H19ClFNO5
• Molecular Weight: 479.89 g/mol
• Exact Mass: 479.09
• IUPAC Name: 2-[(2-chlorophenyl)methyl]-1-(3,4-dimethoxyphenyl)-7-fluoro-1H-chromeno[2,3-c]pyrrole-3,9-dione
• SMILES: COc1ccc(C2c3c(oc4ccc(F)cc4c3=O)C(=O)N2Cc2ccccc2Cl)cc1OC
• InChI: InChI=1S/C26H19ClFNO5/c1-32-20-9-7-14(11-21(20)33-2)23-22-24(30)17-12-16(28)8-10-19(17)34-25(22)26(31)29(23)13-15-5-3-4-6-18(15)27/h3-12,23H,13H2,1-2H3
• InChIKey: SNSRHOYWUBLFHK-UHFFFAOYSA-N
• XLogP: 5.35
• TPSA: 68.98 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	479.89
LogP ≤ 5	5.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2-[(2-chlorophenyl)methyl]-1-(3,4-dimethoxyphenyl)-7-fluoro-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18810283) is 2-[(2-chlorophenyl)methyl]-1-(3,4-dimethoxyphenyl)-7-fluoro-1H-chromeno[2,3-c]pyrrole-3,9-dione.

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

The canonical SMILES for 2-[(2-chlorophenyl)methyl]-1-(3,4-dimethoxyphenyl)-7-fluoro-1H-chromeno[2,3-c]pyrrole-3,9-dione is COc1ccc(C2c3c(oc4ccc(F)cc4c3=O)C(=O)N2Cc2ccccc2Cl)cc1OC.

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

The InChIKey is SNSRHOYWUBLFHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19ClFNO5/c1-32-20-9-7-14(11-21(20)33-2)23-22-24(30)17-12-16(28)8-10-19(17)34-25(22)26(31)29(23)13-15-5-3-4-6-18(15)27/h3-12,23H,13H2,1-2H3.

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

2-[(2-chlorophenyl)methyl]-1-(3,4-dimethoxyphenyl)-7-fluoro-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 479.89 g/mol, XLogP of 5.35, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2-chlorophenyl)methyl]-1-(3,4-dimethoxyphenyl)-7-fluoro-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18810283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).