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

C26H20ClNO4 — CID 18809565

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

2-[(2-chlorophenyl)methyl]-1-(4-ethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18809565) has the molecular formula C26H20ClNO4 and a molecular weight of 445.90 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl]-1-(4-ethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

• Compound Name: 2-[(2-chlorophenyl)methyl]-1-(4-ethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
• PubChem CID: 18809565
• Molecular Formula: C26H20ClNO4
• Molecular Weight: 445.90 g/mol
• Exact Mass: 445.11
• IUPAC Name: 2-[(2-chlorophenyl)methyl]-1-(4-ethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
• SMILES: CCOc1ccc(C2c3c(oc4ccccc4c3=O)C(=O)N2Cc2ccccc2Cl)cc1
• InChI: InChI=1S/C26H20ClNO4/c1-2-31-18-13-11-16(12-14-18)23-22-24(29)19-8-4-6-10-21(19)32-25(22)26(30)28(23)15-17-7-3-5-9-20(17)27/h3-14,23H,2,15H2,1H3
• InChIKey: UTDGMUXYROOECY-UHFFFAOYSA-N
• XLogP: 5.59
• TPSA: 59.75 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	445.90
LogP ≤ 5	5.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 2-[(2-chlorophenyl)methyl]-1-(4-ethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18809565) is 2-[(2-chlorophenyl)methyl]-1-(4-ethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

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

The canonical SMILES for 2-[(2-chlorophenyl)methyl]-1-(4-ethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is CCOc1ccc(C2c3c(oc4ccccc4c3=O)C(=O)N2Cc2ccccc2Cl)cc1.

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

The InChIKey is UTDGMUXYROOECY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20ClNO4/c1-2-31-18-13-11-16(12-14-18)23-22-24(29)19-8-4-6-10-21(19)32-25(22)26(30)28(23)15-17-7-3-5-9-20(17)27/h3-14,23H,2,15H2,1H3.

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

2-[(2-chlorophenyl)methyl]-1-(4-ethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 445.90 g/mol, XLogP of 5.59, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2-chlorophenyl)methyl]-1-(4-ethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18809565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).