6-chloro-4'-[5-chloro-2-[1-(hydroxymethyl)cyclobutyl]oxyphenyl]-6'-(5-fluoro-2-methylphenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione

C30H27Cl2FN2O4 — CID 76568037

About 6-chloro-4'-[5-chloro-2-[1-(hydroxymethyl)cyclobutyl]oxyphenyl]-6'-(5-fluoro-2-methylphenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione

6-chloro-4'-[5-chloro-2-[1-(hydroxymethyl)cyclobutyl]oxyphenyl]-6'-(5-fluoro-2-methylphenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione (PubChem CID 76568037) has the molecular formula C30H27Cl2FN2O4 and a molecular weight of 569.46 g/mol. Its IUPAC name is 6-chloro-4'-[5-chloro-2-[1-(hydroxymethyl)cyclobutyl]oxyphenyl]-6'-(5-fluoro-2-methylphenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione.

Molecular Properties

• Compound Name: 6-chloro-4'-[5-chloro-2-[1-(hydroxymethyl)cyclobutyl]oxyphenyl]-6'-(5-fluoro-2-methylphenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione
• PubChem CID: 76568037
• Molecular Formula: C30H27Cl2FN2O4
• Molecular Weight: 569.46 g/mol
• Exact Mass: 568.13
• IUPAC Name: 6-chloro-4'-[5-chloro-2-[1-(hydroxymethyl)cyclobutyl]oxyphenyl]-6'-(5-fluoro-2-methylphenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione
• SMILES: Cc1ccc(F)cc1C1NC(=O)CC(c2cc(Cl)ccc2OC2(CO)CCC2)C12C(=O)Nc1cc(Cl)ccc12
• InChI: InChI=1S/C30H27Cl2FN2O4/c1-16-3-6-19(33)13-20(16)27-30(22-7-4-18(32)12-24(22)34-28(30)38)23(14-26(37)35-27)21-11-17(31)5-8-25(21)39-29(15-36)9-2-10-29/h3-8,11-13,23,27,36H,2,9-10,14-15H2,1H3,(H,34,38)(H,35,37)
• InChIKey: PCGPGFWXTPVLSO-UHFFFAOYSA-N
• XLogP: 5.97
• TPSA: 87.66 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	569.46
LogP ≤ 5	5.97
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4'-[5-chloro-2-[1-(hydroxymethyl)cyclobutyl]oxyphenyl]-6'-(5-fluoro-2-methylphenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione?

The IUPAC name of 6-chloro-4'-[5-chloro-2-[1-(hydroxymethyl)cyclobutyl]oxyphenyl]-6'-(5-fluoro-2-methylphenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione (CID 76568037) is 6-chloro-4'-[5-chloro-2-[1-(hydroxymethyl)cyclobutyl]oxyphenyl]-6'-(5-fluoro-2-methylphenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione.

What is the SMILES notation for 6-chloro-4'-[5-chloro-2-[1-(hydroxymethyl)cyclobutyl]oxyphenyl]-6'-(5-fluoro-2-methylphenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione?

The canonical SMILES for 6-chloro-4'-[5-chloro-2-[1-(hydroxymethyl)cyclobutyl]oxyphenyl]-6'-(5-fluoro-2-methylphenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione is Cc1ccc(F)cc1C1NC(=O)CC(c2cc(Cl)ccc2OC2(CO)CCC2)C12C(=O)Nc1cc(Cl)ccc12.

What is the InChIKey of 6-chloro-4'-[5-chloro-2-[1-(hydroxymethyl)cyclobutyl]oxyphenyl]-6'-(5-fluoro-2-methylphenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione?

The InChIKey is PCGPGFWXTPVLSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27Cl2FN2O4/c1-16-3-6-19(33)13-20(16)27-30(22-7-4-18(32)12-24(22)34-28(30)38)23(14-26(37)35-27)21-11-17(31)5-8-25(21)39-29(15-36)9-2-10-29/h3-8,11-13,23,27,36H,2,9-10,14-15H2,1H3,(H,34,38)(H,35,37).

What are the key properties of 6-chloro-4'-[5-chloro-2-[1-(hydroxymethyl)cyclobutyl]oxyphenyl]-6'-(5-fluoro-2-methylphenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione?

6-chloro-4'-[5-chloro-2-[1-(hydroxymethyl)cyclobutyl]oxyphenyl]-6'-(5-fluoro-2-methylphenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione has a molecular weight of 569.46 g/mol, XLogP of 5.97, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-4'-[5-chloro-2-[1-(hydroxymethyl)cyclobutyl]oxyphenyl]-6'-(5-fluoro-2-methylphenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione is sourced from PubChem (CID 76568037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).