2-[4-chloro-2-[6-chloro-2'-(5-fluoro-2-methylphenyl)-2,6'-dioxospiro[1H-indole-3,3'-piperidine]-4'-yl]phenoxy]-N-methylsulfonyl-2-propylpentanamide

C34H36Cl2FN3O6S — CID 74928691

About 2-[4-chloro-2-[6-chloro-2'-(5-fluoro-2-methylphenyl)-2,6'-dioxospiro[1H-indole-3,3'-piperidine]-4'-yl]phenoxy]-N-methylsulfonyl-2-propylpentanamide

2-[4-chloro-2-[6-chloro-2'-(5-fluoro-2-methylphenyl)-2,6'-dioxospiro[1H-indole-3,3'-piperidine]-4'-yl]phenoxy]-N-methylsulfonyl-2-propylpentanamide (PubChem CID 74928691) has the molecular formula C34H36Cl2FN3O6S and a molecular weight of 704.65 g/mol. Its IUPAC name is 2-[4-chloro-2-[6-chloro-2'-(5-fluoro-2-methylphenyl)-2,6'-dioxospiro[1H-indole-3,3'-piperidine]-4'-yl]phenoxy]-N-methylsulfonyl-2-propylpentanamide.

Molecular Properties

• Compound Name: 2-[4-chloro-2-[6-chloro-2'-(5-fluoro-2-methylphenyl)-2,6'-dioxospiro[1H-indole-3,3'-piperidine]-4'-yl]phenoxy]-N-methylsulfonyl-2-propylpentanamide
• PubChem CID: 74928691
• Molecular Formula: C34H36Cl2FN3O6S
• Molecular Weight: 704.65 g/mol
• Exact Mass: 703.17
• IUPAC Name: 2-[4-chloro-2-[6-chloro-2'-(5-fluoro-2-methylphenyl)-2,6'-dioxospiro[1H-indole-3,3'-piperidine]-4'-yl]phenoxy]-N-methylsulfonyl-2-propylpentanamide
• SMILES: CCCC(CCC)(Oc1ccc(Cl)cc1C1CC(=O)NC(c2cc(F)ccc2C)C12C(=O)Nc1cc(Cl)ccc12)C(=O)NS(C)(=O)=O
• InChI: InChI=1S/C34H36Cl2FN3O6S/c1-5-13-33(14-6-2,31(42)40-47(4,44)45)46-28-12-9-20(35)15-24(28)26-18-29(41)39-30(23-17-22(37)10-7-19(23)3)34(26)25-11-8-21(36)16-27(25)38-32(34)43/h7-12,15-17,26,30H,5-6,13-14,18H2,1-4H3,(H,38,43)(H,39,41)(H,40,42)
• InChIKey: LZKZYGHVBMWLRG-UHFFFAOYSA-N
• XLogP: 6.47
• TPSA: 130.67 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	704.65
LogP ≤ 5	6.47
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 2-[4-chloro-2-[6-chloro-2'-(5-fluoro-2-methylphenyl)-2,6'-dioxospiro[1H-indole-3,3'-piperidine]-4'-yl]phenoxy]-N-methylsulfonyl-2-propylpentanamide (CID 74928691) is 2-[4-chloro-2-[6-chloro-2'-(5-fluoro-2-methylphenyl)-2,6'-dioxospiro[1H-indole-3,3'-piperidine]-4'-yl]phenoxy]-N-methylsulfonyl-2-propylpentanamide.

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

The canonical SMILES for 2-[4-chloro-2-[6-chloro-2'-(5-fluoro-2-methylphenyl)-2,6'-dioxospiro[1H-indole-3,3'-piperidine]-4'-yl]phenoxy]-N-methylsulfonyl-2-propylpentanamide is CCCC(CCC)(Oc1ccc(Cl)cc1C1CC(=O)NC(c2cc(F)ccc2C)C12C(=O)Nc1cc(Cl)ccc12)C(=O)NS(C)(=O)=O.

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

The InChIKey is LZKZYGHVBMWLRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H36Cl2FN3O6S/c1-5-13-33(14-6-2,31(42)40-47(4,44)45)46-28-12-9-20(35)15-24(28)26-18-29(41)39-30(23-17-22(37)10-7-19(23)3)34(26)25-11-8-21(36)16-27(25)38-32(34)43/h7-12,15-17,26,30H,5-6,13-14,18H2,1-4H3,(H,38,43)(H,39,41)(H,40,42).

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

2-[4-chloro-2-[6-chloro-2'-(5-fluoro-2-methylphenyl)-2,6'-dioxospiro[1H-indole-3,3'-piperidine]-4'-yl]phenoxy]-N-methylsulfonyl-2-propylpentanamide has a molecular weight of 704.65 g/mol, XLogP of 6.47, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-chloro-2-[6-chloro-2'-(5-fluoro-2-methylphenyl)-2,6'-dioxospiro[1H-indole-3,3'-piperidine]-4'-yl]phenoxy]-N-methylsulfonyl-2-propylpentanamide is sourced from PubChem (CID 74928691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).