1'-[(2-fluorophenyl)methyl]-2-(2-methoxyethyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione

C28H21FN2O5 — CID 18867656

About 1'-[(2-fluorophenyl)methyl]-2-(2-methoxyethyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione

1'-[(2-fluorophenyl)methyl]-2-(2-methoxyethyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione (PubChem CID 18867656) has the molecular formula C28H21FN2O5 and a molecular weight of 484.48 g/mol. Its IUPAC name is 1'-[(2-fluorophenyl)methyl]-2-(2-methoxyethyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione.

Molecular Properties

• Compound Name: 1'-[(2-fluorophenyl)methyl]-2-(2-methoxyethyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
• PubChem CID: 18867656
• Molecular Formula: C28H21FN2O5
• Molecular Weight: 484.48 g/mol
• Exact Mass: 484.14
• IUPAC Name: 1'-[(2-fluorophenyl)methyl]-2-(2-methoxyethyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
• SMILES: COCCN1C(=O)c2oc3ccccc3c(=O)c2C12C(=O)N(Cc1ccccc1F)c1ccccc12
• InChI: InChI=1S/C28H21FN2O5/c1-35-15-14-31-26(33)25-23(24(32)18-9-3-7-13-22(18)36-25)28(31)19-10-4-6-12-21(19)30(27(28)34)16-17-8-2-5-11-20(17)29/h2-13H,14-16H2,1H3
• InChIKey: QDHJCVDSHUUFSU-UHFFFAOYSA-N
• XLogP: 3.82
• TPSA: 80.06 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	484.48
LogP ≤ 5	3.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1'-[(2-fluorophenyl)methyl]-2-(2-methoxyethyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?

The IUPAC name of 1'-[(2-fluorophenyl)methyl]-2-(2-methoxyethyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione (CID 18867656) is 1'-[(2-fluorophenyl)methyl]-2-(2-methoxyethyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione.

What is the SMILES notation for 1'-[(2-fluorophenyl)methyl]-2-(2-methoxyethyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?

The canonical SMILES for 1'-[(2-fluorophenyl)methyl]-2-(2-methoxyethyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione is COCCN1C(=O)c2oc3ccccc3c(=O)c2C12C(=O)N(Cc1ccccc1F)c1ccccc12.

What is the InChIKey of 1'-[(2-fluorophenyl)methyl]-2-(2-methoxyethyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?

The InChIKey is QDHJCVDSHUUFSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21FN2O5/c1-35-15-14-31-26(33)25-23(24(32)18-9-3-7-13-22(18)36-25)28(31)19-10-4-6-12-21(19)30(27(28)34)16-17-8-2-5-11-20(17)29/h2-13H,14-16H2,1H3.

What are the key properties of 1'-[(2-fluorophenyl)methyl]-2-(2-methoxyethyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?

1'-[(2-fluorophenyl)methyl]-2-(2-methoxyethyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione has a molecular weight of 484.48 g/mol, XLogP of 3.82, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1'-[(2-fluorophenyl)methyl]-2-(2-methoxyethyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione is sourced from PubChem (CID 18867656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).