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

C26H19ClFNO4 — CID 4216940

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

7-chloro-1-(2-fluorophenyl)-2-[2-(4-methoxyphenyl)ethyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 4216940) has the molecular formula C26H19ClFNO4 and a molecular weight of 463.89 g/mol. Its IUPAC name is 7-chloro-1-(2-fluorophenyl)-2-[2-(4-methoxyphenyl)ethyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

• Compound Name: 7-chloro-1-(2-fluorophenyl)-2-[2-(4-methoxyphenyl)ethyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
• PubChem CID: 4216940
• Molecular Formula: C26H19ClFNO4
• Molecular Weight: 463.89 g/mol
• Exact Mass: 463.10
• IUPAC Name: 7-chloro-1-(2-fluorophenyl)-2-[2-(4-methoxyphenyl)ethyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
• SMILES: COc1ccc(CCN2C(=O)c3oc4ccc(Cl)cc4c(=O)c3C2c2ccccc2F)cc1
• InChI: InChI=1S/C26H19ClFNO4/c1-32-17-9-6-15(7-10-17)12-13-29-23(18-4-2-3-5-20(18)28)22-24(30)19-14-16(27)8-11-21(19)33-25(22)26(29)31/h2-11,14,23H,12-13H2,1H3
• InChIKey: OFZCRRYDBLQPSN-UHFFFAOYSA-N
• XLogP: 5.38
• TPSA: 59.75 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	463.89
LogP ≤ 5	5.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 7-chloro-1-(2-fluorophenyl)-2-[2-(4-methoxyphenyl)ethyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 4216940) is 7-chloro-1-(2-fluorophenyl)-2-[2-(4-methoxyphenyl)ethyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione.

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

The canonical SMILES for 7-chloro-1-(2-fluorophenyl)-2-[2-(4-methoxyphenyl)ethyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione is COc1ccc(CCN2C(=O)c3oc4ccc(Cl)cc4c(=O)c3C2c2ccccc2F)cc1.

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

The InChIKey is OFZCRRYDBLQPSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19ClFNO4/c1-32-17-9-6-15(7-10-17)12-13-29-23(18-4-2-3-5-20(18)28)22-24(30)19-14-16(27)8-11-21(19)33-25(22)26(29)31/h2-11,14,23H,12-13H2,1H3.

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

7-chloro-1-(2-fluorophenyl)-2-[2-(4-methoxyphenyl)ethyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 463.89 g/mol, XLogP of 5.38, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 7-chloro-1-(2-fluorophenyl)-2-[2-(4-methoxyphenyl)ethyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 4216940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).