1'-[(2-chlorophenyl)methyl]-7-fluoro-2-[(4-methylphenyl)methyl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione

C33H22ClFN2O4 — CID 18868517

About 1'-[(2-chlorophenyl)methyl]-7-fluoro-2-[(4-methylphenyl)methyl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione

1'-[(2-chlorophenyl)methyl]-7-fluoro-2-[(4-methylphenyl)methyl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione (PubChem CID 18868517) has the molecular formula C33H22ClFN2O4 and a molecular weight of 565.00 g/mol. Its IUPAC name is 1'-[(2-chlorophenyl)methyl]-7-fluoro-2-[(4-methylphenyl)methyl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione.

Molecular Properties

• Compound Name: 1'-[(2-chlorophenyl)methyl]-7-fluoro-2-[(4-methylphenyl)methyl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
• PubChem CID: 18868517
• Molecular Formula: C33H22ClFN2O4
• Molecular Weight: 565.00 g/mol
• Exact Mass: 564.13
• IUPAC Name: 1'-[(2-chlorophenyl)methyl]-7-fluoro-2-[(4-methylphenyl)methyl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
• SMILES: Cc1ccc(CN2C(=O)c3oc4ccc(F)cc4c(=O)c3C23C(=O)N(Cc2ccccc2Cl)c2ccccc23)cc1
• InChI: InChI=1S/C33H22ClFN2O4/c1-19-10-12-20(13-11-19)17-37-31(39)30-28(29(38)23-16-22(35)14-15-27(23)41-30)33(37)24-7-3-5-9-26(24)36(32(33)40)18-21-6-2-4-8-25(21)34/h2-16H,17-18H2,1H3
• InChIKey: VLNMOIKFVWTXOZ-UHFFFAOYSA-N
• XLogP: 6.34
• TPSA: 70.83 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	565.00
LogP ≤ 5	6.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1'-[(2-chlorophenyl)methyl]-7-fluoro-2-[(4-methylphenyl)methyl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?

The IUPAC name of 1'-[(2-chlorophenyl)methyl]-7-fluoro-2-[(4-methylphenyl)methyl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione (CID 18868517) is 1'-[(2-chlorophenyl)methyl]-7-fluoro-2-[(4-methylphenyl)methyl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione.

What is the SMILES notation for 1'-[(2-chlorophenyl)methyl]-7-fluoro-2-[(4-methylphenyl)methyl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?

The canonical SMILES for 1'-[(2-chlorophenyl)methyl]-7-fluoro-2-[(4-methylphenyl)methyl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione is Cc1ccc(CN2C(=O)c3oc4ccc(F)cc4c(=O)c3C23C(=O)N(Cc2ccccc2Cl)c2ccccc23)cc1.

What is the InChIKey of 1'-[(2-chlorophenyl)methyl]-7-fluoro-2-[(4-methylphenyl)methyl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?

The InChIKey is VLNMOIKFVWTXOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H22ClFN2O4/c1-19-10-12-20(13-11-19)17-37-31(39)30-28(29(38)23-16-22(35)14-15-27(23)41-30)33(37)24-7-3-5-9-26(24)36(32(33)40)18-21-6-2-4-8-25(21)34/h2-16H,17-18H2,1H3.

What are the key properties of 1'-[(2-chlorophenyl)methyl]-7-fluoro-2-[(4-methylphenyl)methyl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?

1'-[(2-chlorophenyl)methyl]-7-fluoro-2-[(4-methylphenyl)methyl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione has a molecular weight of 565.00 g/mol, XLogP of 6.34, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1'-[(2-chlorophenyl)methyl]-7-fluoro-2-[(4-methylphenyl)methyl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione is sourced from PubChem (CID 18868517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).