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

C27H21ClFNO5 — CID 18810020

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

7-chloro-1-(4-ethoxy-3-methoxyphenyl)-2-[(4-fluorophenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18810020) has the molecular formula C27H21ClFNO5 and a molecular weight of 493.92 g/mol. Its IUPAC name is 7-chloro-1-(4-ethoxy-3-methoxyphenyl)-2-[(4-fluorophenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

• Compound Name: 7-chloro-1-(4-ethoxy-3-methoxyphenyl)-2-[(4-fluorophenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
• PubChem CID: 18810020
• Molecular Formula: C27H21ClFNO5
• Molecular Weight: 493.92 g/mol
• Exact Mass: 493.11
• IUPAC Name: 7-chloro-1-(4-ethoxy-3-methoxyphenyl)-2-[(4-fluorophenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
• SMILES: CCOc1ccc(C2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2Cc2ccc(F)cc2)cc1OC
• InChI: InChI=1S/C27H21ClFNO5/c1-3-34-21-10-6-16(12-22(21)33-2)24-23-25(31)19-13-17(28)7-11-20(19)35-26(23)27(32)30(24)14-15-4-8-18(29)9-5-15/h4-13,24H,3,14H2,1-2H3
• InChIKey: QUEOHCAWCBALDX-UHFFFAOYSA-N
• XLogP: 5.74
• TPSA: 68.98 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	493.92
LogP ≤ 5	5.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 7-chloro-1-(4-ethoxy-3-methoxyphenyl)-2-[(4-fluorophenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18810020) is 7-chloro-1-(4-ethoxy-3-methoxyphenyl)-2-[(4-fluorophenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione.

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

The canonical SMILES for 7-chloro-1-(4-ethoxy-3-methoxyphenyl)-2-[(4-fluorophenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione is CCOc1ccc(C2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2Cc2ccc(F)cc2)cc1OC.

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

The InChIKey is QUEOHCAWCBALDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21ClFNO5/c1-3-34-21-10-6-16(12-22(21)33-2)24-23-25(31)19-13-17(28)7-11-20(19)35-26(23)27(32)30(24)14-15-4-8-18(29)9-5-15/h4-13,24H,3,14H2,1-2H3.

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

7-chloro-1-(4-ethoxy-3-methoxyphenyl)-2-[(4-fluorophenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 493.92 g/mol, XLogP of 5.74, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7-chloro-1-(4-ethoxy-3-methoxyphenyl)-2-[(4-fluorophenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18810020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).