6-chloro-3'-(3-chlorophenyl)-5'-(2,2-dimethylpropyl)-5-fluoro-1'-hydroxy-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide;methane

C24H28Cl2FN3O3 — CID 158159563

About 6-chloro-3'-(3-chlorophenyl)-5'-(2,2-dimethylpropyl)-5-fluoro-1'-hydroxy-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide;methane

6-chloro-3'-(3-chlorophenyl)-5'-(2,2-dimethylpropyl)-5-fluoro-1'-hydroxy-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide;methane (PubChem CID 158159563) has the molecular formula C24H28Cl2FN3O3 and a molecular weight of 496.41 g/mol. Its IUPAC name is 6-chloro-3'-(3-chlorophenyl)-5'-(2,2-dimethylpropyl)-5-fluoro-1'-hydroxy-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide;methane.

Molecular Properties

• Compound Name: 6-chloro-3'-(3-chlorophenyl)-5'-(2,2-dimethylpropyl)-5-fluoro-1'-hydroxy-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide;methane
• PubChem CID: 158159563
• Molecular Formula: C24H28Cl2FN3O3
• Molecular Weight: 496.41 g/mol
• Exact Mass: 495.15
• IUPAC Name: 6-chloro-3'-(3-chlorophenyl)-5'-(2,2-dimethylpropyl)-5-fluoro-1'-hydroxy-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide;methane
• SMILES: C.CC(C)(C)CC1N(O)C(C(N)=O)C(c2cccc(Cl)c2)C12C(=O)Nc1cc(Cl)c(F)cc12
• InChI: InChI=1S/C23H24Cl2FN3O3.CH4/c1-22(2,3)10-17-23(13-8-15(26)14(25)9-16(13)28-21(23)31)18(19(20(27)30)29(17)32)11-5-4-6-12(24)7-11;/h4-9,17-19,32H,10H2,1-3H3,(H2,27,30)(H,28,31);1H4
• InChIKey: FWCJEPHURVMUMN-UHFFFAOYSA-N
• XLogP: 5.11
• TPSA: 95.66 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	496.41
LogP ≤ 5	5.11
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3'-(3-chlorophenyl)-5'-(2,2-dimethylpropyl)-5-fluoro-1'-hydroxy-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide;methane?

The IUPAC name of 6-chloro-3'-(3-chlorophenyl)-5'-(2,2-dimethylpropyl)-5-fluoro-1'-hydroxy-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide;methane (CID 158159563) is 6-chloro-3'-(3-chlorophenyl)-5'-(2,2-dimethylpropyl)-5-fluoro-1'-hydroxy-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide;methane.

What is the SMILES notation for 6-chloro-3'-(3-chlorophenyl)-5'-(2,2-dimethylpropyl)-5-fluoro-1'-hydroxy-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide;methane?

The canonical SMILES for 6-chloro-3'-(3-chlorophenyl)-5'-(2,2-dimethylpropyl)-5-fluoro-1'-hydroxy-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide;methane is C.CC(C)(C)CC1N(O)C(C(N)=O)C(c2cccc(Cl)c2)C12C(=O)Nc1cc(Cl)c(F)cc12.

What is the InChIKey of 6-chloro-3'-(3-chlorophenyl)-5'-(2,2-dimethylpropyl)-5-fluoro-1'-hydroxy-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide;methane?

The InChIKey is FWCJEPHURVMUMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24Cl2FN3O3.CH4/c1-22(2,3)10-17-23(13-8-15(26)14(25)9-16(13)28-21(23)31)18(19(20(27)30)29(17)32)11-5-4-6-12(24)7-11;/h4-9,17-19,32H,10H2,1-3H3,(H2,27,30)(H,28,31);1H4.

What are the key properties of 6-chloro-3'-(3-chlorophenyl)-5'-(2,2-dimethylpropyl)-5-fluoro-1'-hydroxy-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide;methane?

6-chloro-3'-(3-chlorophenyl)-5'-(2,2-dimethylpropyl)-5-fluoro-1'-hydroxy-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide;methane has a molecular weight of 496.41 g/mol, XLogP of 5.11, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-3'-(3-chlorophenyl)-5'-(2,2-dimethylpropyl)-5-fluoro-1'-hydroxy-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide;methane is sourced from PubChem (CID 158159563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).