7-chloro-1-(2-fluorophenyl)-2-[2-(4-methoxyphenyl)ethyl]-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

C27H21ClFNO4 — CID 4860329

About 7-chloro-1-(2-fluorophenyl)-2-[2-(4-methoxyphenyl)ethyl]-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

7-chloro-1-(2-fluorophenyl)-2-[2-(4-methoxyphenyl)ethyl]-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 4860329) has the molecular formula C27H21ClFNO4 and a molecular weight of 477.92 g/mol. Its IUPAC name is 7-chloro-1-(2-fluorophenyl)-2-[2-(4-methoxyphenyl)ethyl]-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

• Compound Name: 7-chloro-1-(2-fluorophenyl)-2-[2-(4-methoxyphenyl)ethyl]-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
• PubChem CID: 4860329
• Molecular Formula: C27H21ClFNO4
• Molecular Weight: 477.92 g/mol
• Exact Mass: 477.11
• IUPAC Name: 7-chloro-1-(2-fluorophenyl)-2-[2-(4-methoxyphenyl)ethyl]-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
• SMILES: COc1ccc(CCN2C(=O)c3oc4cc(C)c(Cl)cc4c(=O)c3C2c2ccccc2F)cc1
• InChI: InChI=1S/C27H21ClFNO4/c1-15-13-22-19(14-20(15)28)25(31)23-24(18-5-3-4-6-21(18)29)30(27(32)26(23)34-22)12-11-16-7-9-17(33-2)10-8-16/h3-10,13-14,24H,11-12H2,1-2H3
• InChIKey: UBWLTTPHMMLXRT-UHFFFAOYSA-N
• XLogP: 5.69
• TPSA: 59.75 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	477.92
LogP ≤ 5	5.69
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]-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The IUPAC name of 7-chloro-1-(2-fluorophenyl)-2-[2-(4-methoxyphenyl)ethyl]-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 4860329) is 7-chloro-1-(2-fluorophenyl)-2-[2-(4-methoxyphenyl)ethyl]-6-methyl-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]-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The canonical SMILES for 7-chloro-1-(2-fluorophenyl)-2-[2-(4-methoxyphenyl)ethyl]-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is COc1ccc(CCN2C(=O)c3oc4cc(C)c(Cl)cc4c(=O)c3C2c2ccccc2F)cc1.

What is the InChIKey of 7-chloro-1-(2-fluorophenyl)-2-[2-(4-methoxyphenyl)ethyl]-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The InChIKey is UBWLTTPHMMLXRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21ClFNO4/c1-15-13-22-19(14-20(15)28)25(31)23-24(18-5-3-4-6-21(18)29)30(27(32)26(23)34-22)12-11-16-7-9-17(33-2)10-8-16/h3-10,13-14,24H,11-12H2,1-2H3.

What are the key properties of 7-chloro-1-(2-fluorophenyl)-2-[2-(4-methoxyphenyl)ethyl]-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?

7-chloro-1-(2-fluorophenyl)-2-[2-(4-methoxyphenyl)ethyl]-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 477.92 g/mol, XLogP of 5.69, 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]-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 4860329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).