(3R,4'S,6'R)-6-chloro-4'-(3-chlorophenyl)-6'-(5-fluoro-2-methylphenyl)-1-(2-hydroxyethyl)-1'-methylspiro[indole-3,5'-piperidine]-2,2'-dione

C28H25Cl2FN2O3 — CID 68962120

About (3R,4'S,6'R)-6-chloro-4'-(3-chlorophenyl)-6'-(5-fluoro-2-methylphenyl)-1-(2-hydroxyethyl)-1'-methylspiro[indole-3,5'-piperidine]-2,2'-dione

(3R,4'S,6'R)-6-chloro-4'-(3-chlorophenyl)-6'-(5-fluoro-2-methylphenyl)-1-(2-hydroxyethyl)-1'-methylspiro[indole-3,5'-piperidine]-2,2'-dione (PubChem CID 68962120) has the molecular formula C28H25Cl2FN2O3 and a molecular weight of 527.42 g/mol. Its IUPAC name is (3R,4'S,6'R)-6-chloro-4'-(3-chlorophenyl)-6'-(5-fluoro-2-methylphenyl)-1-(2-hydroxyethyl)-1'-methylspiro[indole-3,5'-piperidine]-2,2'-dione.

Molecular Properties

• Compound Name: (3R,4'S,6'R)-6-chloro-4'-(3-chlorophenyl)-6'-(5-fluoro-2-methylphenyl)-1-(2-hydroxyethyl)-1'-methylspiro[indole-3,5'-piperidine]-2,2'-dione
• PubChem CID: 68962120
• Molecular Formula: C28H25Cl2FN2O3
• Molecular Weight: 527.42 g/mol
• Exact Mass: 526.12
• IUPAC Name: (3R,4'S,6'R)-6-chloro-4'-(3-chlorophenyl)-6'-(5-fluoro-2-methylphenyl)-1-(2-hydroxyethyl)-1'-methylspiro[indole-3,5'-piperidine]-2,2'-dione
• SMILES: Cc1ccc(F)cc1[C@H]1N(C)C(=O)C[C@@H](c2cccc(Cl)c2)[C@]12C(=O)N(CCO)c1cc(Cl)ccc12
• InChI: InChI=1S/C28H25Cl2FN2O3/c1-16-6-8-20(31)14-21(16)26-28(22-9-7-19(30)13-24(22)33(10-11-34)27(28)36)23(15-25(35)32(26)2)17-4-3-5-18(29)12-17/h3-9,12-14,23,26,34H,10-11,15H2,1-2H3/t23-,26+,28-/m0/s1
• InChIKey: IJOVVCZLLWNFKF-AQHOXQCLSA-N
• XLogP: 5.40
• TPSA: 60.85 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	527.42
LogP ≤ 5	5.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (3R,4'S,6'R)-6-chloro-4'-(3-chlorophenyl)-6'-(5-fluoro-2-methylphenyl)-1-(2-hydroxyethyl)-1'-methylspiro[indole-3,5'-piperidine]-2,2'-dione?

The IUPAC name of (3R,4'S,6'R)-6-chloro-4'-(3-chlorophenyl)-6'-(5-fluoro-2-methylphenyl)-1-(2-hydroxyethyl)-1'-methylspiro[indole-3,5'-piperidine]-2,2'-dione (CID 68962120) is (3R,4'S,6'R)-6-chloro-4'-(3-chlorophenyl)-6'-(5-fluoro-2-methylphenyl)-1-(2-hydroxyethyl)-1'-methylspiro[indole-3,5'-piperidine]-2,2'-dione.

What is the SMILES notation for (3R,4'S,6'R)-6-chloro-4'-(3-chlorophenyl)-6'-(5-fluoro-2-methylphenyl)-1-(2-hydroxyethyl)-1'-methylspiro[indole-3,5'-piperidine]-2,2'-dione?

The canonical SMILES for (3R,4'S,6'R)-6-chloro-4'-(3-chlorophenyl)-6'-(5-fluoro-2-methylphenyl)-1-(2-hydroxyethyl)-1'-methylspiro[indole-3,5'-piperidine]-2,2'-dione is Cc1ccc(F)cc1[C@H]1N(C)C(=O)C[C@@H](c2cccc(Cl)c2)[C@]12C(=O)N(CCO)c1cc(Cl)ccc12.

What is the InChIKey of (3R,4'S,6'R)-6-chloro-4'-(3-chlorophenyl)-6'-(5-fluoro-2-methylphenyl)-1-(2-hydroxyethyl)-1'-methylspiro[indole-3,5'-piperidine]-2,2'-dione?

The InChIKey is IJOVVCZLLWNFKF-AQHOXQCLSA-N. The full InChI is InChI=1S/C28H25Cl2FN2O3/c1-16-6-8-20(31)14-21(16)26-28(22-9-7-19(30)13-24(22)33(10-11-34)27(28)36)23(15-25(35)32(26)2)17-4-3-5-18(29)12-17/h3-9,12-14,23,26,34H,10-11,15H2,1-2H3/t23-,26+,28-/m0/s1.

What are the key properties of (3R,4'S,6'R)-6-chloro-4'-(3-chlorophenyl)-6'-(5-fluoro-2-methylphenyl)-1-(2-hydroxyethyl)-1'-methylspiro[indole-3,5'-piperidine]-2,2'-dione?

(3R,4'S,6'R)-6-chloro-4'-(3-chlorophenyl)-6'-(5-fluoro-2-methylphenyl)-1-(2-hydroxyethyl)-1'-methylspiro[indole-3,5'-piperidine]-2,2'-dione has a molecular weight of 527.42 g/mol, XLogP of 5.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (3R,4'S,6'R)-6-chloro-4'-(3-chlorophenyl)-6'-(5-fluoro-2-methylphenyl)-1-(2-hydroxyethyl)-1'-methylspiro[indole-3,5'-piperidine]-2,2'-dione is sourced from PubChem (CID 68962120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).