2-[4-chloro-2-[6-chloro-2'-(5-fluoro-2-methylphenyl)-1-(2-methylpropanoyl)-2,6'-dioxospiro[indole-3,3'-piperidine]-4'-yl]phenoxy]-2-ethyl-N-methylsulfonylbutanamide

C36H38Cl2FN3O7S — CID 75232920

About 2-[4-chloro-2-[6-chloro-2'-(5-fluoro-2-methylphenyl)-1-(2-methylpropanoyl)-2,6'-dioxospiro[indole-3,3'-piperidine]-4'-yl]phenoxy]-2-ethyl-N-methylsulfonylbutanamide

2-[4-chloro-2-[6-chloro-2'-(5-fluoro-2-methylphenyl)-1-(2-methylpropanoyl)-2,6'-dioxospiro[indole-3,3'-piperidine]-4'-yl]phenoxy]-2-ethyl-N-methylsulfonylbutanamide (PubChem CID 75232920) has the molecular formula C36H38Cl2FN3O7S and a molecular weight of 746.68 g/mol. Its IUPAC name is 2-[4-chloro-2-[6-chloro-2'-(5-fluoro-2-methylphenyl)-1-(2-methylpropanoyl)-2,6'-dioxospiro[indole-3,3'-piperidine]-4'-yl]phenoxy]-2-ethyl-N-methylsulfonylbutanamide.

Molecular Properties

• Compound Name: 2-[4-chloro-2-[6-chloro-2'-(5-fluoro-2-methylphenyl)-1-(2-methylpropanoyl)-2,6'-dioxospiro[indole-3,3'-piperidine]-4'-yl]phenoxy]-2-ethyl-N-methylsulfonylbutanamide
• PubChem CID: 75232920
• Molecular Formula: C36H38Cl2FN3O7S
• Molecular Weight: 746.68 g/mol
• Exact Mass: 745.18
• IUPAC Name: 2-[4-chloro-2-[6-chloro-2'-(5-fluoro-2-methylphenyl)-1-(2-methylpropanoyl)-2,6'-dioxospiro[indole-3,3'-piperidine]-4'-yl]phenoxy]-2-ethyl-N-methylsulfonylbutanamide
• SMILES: CCC(CC)(Oc1ccc(Cl)cc1C1CC(=O)NC(c2cc(F)ccc2C)C12C(=O)N(C(=O)C(C)C)c1cc(Cl)ccc12)C(=O)NS(C)(=O)=O
• InChI: InChI=1S/C36H38Cl2FN3O7S/c1-7-35(8-2,33(45)41-50(6,47)48)49-29-14-11-21(37)15-25(29)27-18-30(43)40-31(24-17-23(39)12-9-20(24)5)36(27)26-13-10-22(38)16-28(26)42(34(36)46)32(44)19(3)4/h9-17,19,27,31H,7-8,18H2,1-6H3,(H,40,43)(H,41,45)
• InChIKey: APJIPJNTAIJUKV-UHFFFAOYSA-N
• XLogP: 6.27
• TPSA: 138.95 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	746.68
LogP ≤ 5	6.27
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-2-[6-chloro-2'-(5-fluoro-2-methylphenyl)-1-(2-methylpropanoyl)-2,6'-dioxospiro[indole-3,3'-piperidine]-4'-yl]phenoxy]-2-ethyl-N-methylsulfonylbutanamide?

The IUPAC name of 2-[4-chloro-2-[6-chloro-2'-(5-fluoro-2-methylphenyl)-1-(2-methylpropanoyl)-2,6'-dioxospiro[indole-3,3'-piperidine]-4'-yl]phenoxy]-2-ethyl-N-methylsulfonylbutanamide (CID 75232920) is 2-[4-chloro-2-[6-chloro-2'-(5-fluoro-2-methylphenyl)-1-(2-methylpropanoyl)-2,6'-dioxospiro[indole-3,3'-piperidine]-4'-yl]phenoxy]-2-ethyl-N-methylsulfonylbutanamide.

What is the SMILES notation for 2-[4-chloro-2-[6-chloro-2'-(5-fluoro-2-methylphenyl)-1-(2-methylpropanoyl)-2,6'-dioxospiro[indole-3,3'-piperidine]-4'-yl]phenoxy]-2-ethyl-N-methylsulfonylbutanamide?

The canonical SMILES for 2-[4-chloro-2-[6-chloro-2'-(5-fluoro-2-methylphenyl)-1-(2-methylpropanoyl)-2,6'-dioxospiro[indole-3,3'-piperidine]-4'-yl]phenoxy]-2-ethyl-N-methylsulfonylbutanamide is CCC(CC)(Oc1ccc(Cl)cc1C1CC(=O)NC(c2cc(F)ccc2C)C12C(=O)N(C(=O)C(C)C)c1cc(Cl)ccc12)C(=O)NS(C)(=O)=O.

What is the InChIKey of 2-[4-chloro-2-[6-chloro-2'-(5-fluoro-2-methylphenyl)-1-(2-methylpropanoyl)-2,6'-dioxospiro[indole-3,3'-piperidine]-4'-yl]phenoxy]-2-ethyl-N-methylsulfonylbutanamide?

The InChIKey is APJIPJNTAIJUKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H38Cl2FN3O7S/c1-7-35(8-2,33(45)41-50(6,47)48)49-29-14-11-21(37)15-25(29)27-18-30(43)40-31(24-17-23(39)12-9-20(24)5)36(27)26-13-10-22(38)16-28(26)42(34(36)46)32(44)19(3)4/h9-17,19,27,31H,7-8,18H2,1-6H3,(H,40,43)(H,41,45).

What are the key properties of 2-[4-chloro-2-[6-chloro-2'-(5-fluoro-2-methylphenyl)-1-(2-methylpropanoyl)-2,6'-dioxospiro[indole-3,3'-piperidine]-4'-yl]phenoxy]-2-ethyl-N-methylsulfonylbutanamide?

2-[4-chloro-2-[6-chloro-2'-(5-fluoro-2-methylphenyl)-1-(2-methylpropanoyl)-2,6'-dioxospiro[indole-3,3'-piperidine]-4'-yl]phenoxy]-2-ethyl-N-methylsulfonylbutanamide has a molecular weight of 746.68 g/mol, XLogP of 6.27, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-chloro-2-[6-chloro-2'-(5-fluoro-2-methylphenyl)-1-(2-methylpropanoyl)-2,6'-dioxospiro[indole-3,3'-piperidine]-4'-yl]phenoxy]-2-ethyl-N-methylsulfonylbutanamide is sourced from PubChem (CID 75232920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).