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

C33H22ClFN2O4 — CID 18868965

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

1'-[(4-chlorophenyl)methyl]-2-[(4-fluorophenyl)methyl]-7-methylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione (PubChem CID 18868965) has the molecular formula C33H22ClFN2O4 and a molecular weight of 565.00 g/mol. Its IUPAC name is 1'-[(4-chlorophenyl)methyl]-2-[(4-fluorophenyl)methyl]-7-methylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione.

Molecular Properties

• Compound Name: 1'-[(4-chlorophenyl)methyl]-2-[(4-fluorophenyl)methyl]-7-methylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
• PubChem CID: 18868965
• Molecular Formula: C33H22ClFN2O4
• Molecular Weight: 565.00 g/mol
• Exact Mass: 564.13
• IUPAC Name: 1'-[(4-chlorophenyl)methyl]-2-[(4-fluorophenyl)methyl]-7-methylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
• SMILES: Cc1ccc2oc3c(c(=O)c2c1)C1(C(=O)N(Cc2ccc(Cl)cc2)c2ccccc21)N(Cc1ccc(F)cc1)C3=O
• InChI: InChI=1S/C33H22ClFN2O4/c1-19-6-15-27-24(16-19)29(38)28-30(41-27)31(39)37(18-21-9-13-23(35)14-10-21)33(28)25-4-2-3-5-26(25)36(32(33)40)17-20-7-11-22(34)12-8-20/h2-16H,17-18H2,1H3
• InChIKey: ZTCKTOCEEAUYQX-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'-[(4-chlorophenyl)methyl]-2-[(4-fluorophenyl)methyl]-7-methylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?

The IUPAC name of 1'-[(4-chlorophenyl)methyl]-2-[(4-fluorophenyl)methyl]-7-methylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione (CID 18868965) is 1'-[(4-chlorophenyl)methyl]-2-[(4-fluorophenyl)methyl]-7-methylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione.

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

The canonical SMILES for 1'-[(4-chlorophenyl)methyl]-2-[(4-fluorophenyl)methyl]-7-methylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione is Cc1ccc2oc3c(c(=O)c2c1)C1(C(=O)N(Cc2ccc(Cl)cc2)c2ccccc21)N(Cc1ccc(F)cc1)C3=O.

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

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

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

1'-[(4-chlorophenyl)methyl]-2-[(4-fluorophenyl)methyl]-7-methylspiro[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'-[(4-chlorophenyl)methyl]-2-[(4-fluorophenyl)methyl]-7-methylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione is sourced from PubChem (CID 18868965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).