3-[6'-chloro-5-(3-chloro-4-fluorophenyl)-7'-methyl-2',4,6-trioxospiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-1-yl]propanamide

C23H19Cl2FN4O4 — CID 4890108

About 3-[6'-chloro-5-(3-chloro-4-fluorophenyl)-7'-methyl-2',4,6-trioxospiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-1-yl]propanamide

3-[6'-chloro-5-(3-chloro-4-fluorophenyl)-7'-methyl-2',4,6-trioxospiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-1-yl]propanamide (PubChem CID 4890108) has the molecular formula C23H19Cl2FN4O4 and a molecular weight of 505.33 g/mol. Its IUPAC name is 3-[6'-chloro-5-(3-chloro-4-fluorophenyl)-7'-methyl-2',4,6-trioxospiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-1-yl]propanamide.

Molecular Properties

• Compound Name: 3-[6'-chloro-5-(3-chloro-4-fluorophenyl)-7'-methyl-2',4,6-trioxospiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-1-yl]propanamide
• PubChem CID: 4890108
• Molecular Formula: C23H19Cl2FN4O4
• Molecular Weight: 505.33 g/mol
• Exact Mass: 504.08
• IUPAC Name: 3-[6'-chloro-5-(3-chloro-4-fluorophenyl)-7'-methyl-2',4,6-trioxospiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-1-yl]propanamide
• SMILES: Cc1c(Cl)ccc2c1NC(=O)C21NC(CCC(N)=O)C2C(=O)N(c3ccc(F)c(Cl)c3)C(=O)C21
• InChI: InChI=1S/C23H19Cl2FN4O4/c1-9-12(24)4-3-11-19(9)28-22(34)23(11)18-17(15(29-23)6-7-16(27)31)20(32)30(21(18)33)10-2-5-14(26)13(25)8-10/h2-5,8,15,17-18,29H,6-7H2,1H3,(H2,27,31)(H,28,34)
• InChIKey: OPQHQZAYMBZLGC-UHFFFAOYSA-N
• XLogP: 2.63
• TPSA: 121.60 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	505.33
LogP ≤ 5	2.63
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[6'-chloro-5-(3-chloro-4-fluorophenyl)-7'-methyl-2',4,6-trioxospiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-1-yl]propanamide?

The IUPAC name of 3-[6'-chloro-5-(3-chloro-4-fluorophenyl)-7'-methyl-2',4,6-trioxospiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-1-yl]propanamide (CID 4890108) is 3-[6'-chloro-5-(3-chloro-4-fluorophenyl)-7'-methyl-2',4,6-trioxospiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-1-yl]propanamide.

What is the SMILES notation for 3-[6'-chloro-5-(3-chloro-4-fluorophenyl)-7'-methyl-2',4,6-trioxospiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-1-yl]propanamide?

The canonical SMILES for 3-[6'-chloro-5-(3-chloro-4-fluorophenyl)-7'-methyl-2',4,6-trioxospiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-1-yl]propanamide is Cc1c(Cl)ccc2c1NC(=O)C21NC(CCC(N)=O)C2C(=O)N(c3ccc(F)c(Cl)c3)C(=O)C21.

What is the InChIKey of 3-[6'-chloro-5-(3-chloro-4-fluorophenyl)-7'-methyl-2',4,6-trioxospiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-1-yl]propanamide?

The InChIKey is OPQHQZAYMBZLGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19Cl2FN4O4/c1-9-12(24)4-3-11-19(9)28-22(34)23(11)18-17(15(29-23)6-7-16(27)31)20(32)30(21(18)33)10-2-5-14(26)13(25)8-10/h2-5,8,15,17-18,29H,6-7H2,1H3,(H2,27,31)(H,28,34).

What are the key properties of 3-[6'-chloro-5-(3-chloro-4-fluorophenyl)-7'-methyl-2',4,6-trioxospiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-1-yl]propanamide?

3-[6'-chloro-5-(3-chloro-4-fluorophenyl)-7'-methyl-2',4,6-trioxospiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-1-yl]propanamide has a molecular weight of 505.33 g/mol, XLogP of 2.63, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[6'-chloro-5-(3-chloro-4-fluorophenyl)-7'-methyl-2',4,6-trioxospiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-1-yl]propanamide is sourced from PubChem (CID 4890108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).