(3R,4'S,6'R)-6-chloro-4'-(3-chlorophenyl)-6'-(5-fluoro-2-methoxyphenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione

C25H19Cl2FN2O3 — CID 24788184

IUPAC(3R,4'S,6'R)-6-chloro-4'-(3-chlorophenyl)-6'-(5-fluoro-2-methoxyphenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione
SMILESCOc1ccc(F)cc1[C@H]1NC(=O)C[C@@H](c2cccc(Cl)c2)[C@]12C(=O)Nc1cc(Cl)ccc12
InChIInChI=1S/C25H19Cl2FN2O3/c1-33-21-8-6-16(28)11-17(21)23-25(18-7-5-15(27)10-20(18)29-24(25)32)19(12-22(31)30-23)13-3-2-4-14(26)9-13/h2-11,19,23H,12H2,1H3,(H,29,32)(H,30,31)/t19-,23+,25-/m0/s1
InChIKeyFMQAXFNCZIIXOR-CYSDGLOUSA-N
MW485.34 g/mol
LogP5.38
Rot. Bonds3

About (3R,4'S,6'R)-6-chloro-4'-(3-chlorophenyl)-6'-(5-fluoro-2-methoxyphenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione

(3R,4'S,6'R)-6-chloro-4'-(3-chlorophenyl)-6'-(5-fluoro-2-methoxyphenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione (PubChem CID 24788184) has the molecular formula C25H19Cl2FN2O3 and a molecular weight of 485.34 g/mol. Its IUPAC name is (3R,4'S,6'R)-6-chloro-4'-(3-chlorophenyl)-6'-(5-fluoro-2-methoxyphenyl)spiro[1H-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-methoxyphenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione
PubChem CID24788184
Molecular FormulaC25H19Cl2FN2O3
Molecular Weight485.34 g/mol
Exact Mass484.08
IUPAC Name(3R,4'S,6'R)-6-chloro-4'-(3-chlorophenyl)-6'-(5-fluoro-2-methoxyphenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione
SMILESCOc1ccc(F)cc1[C@H]1NC(=O)C[C@@H](c2cccc(Cl)c2)[C@]12C(=O)Nc1cc(Cl)ccc12
InChIInChI=1S/C25H19Cl2FN2O3/c1-33-21-8-6-16(28)11-17(21)23-25(18-7-5-15(27)10-20(18)29-24(25)32)19(12-22(31)30-23)13-3-2-4-14(26)9-13/h2-11,19,23H,12H2,1H3,(H,29,32)(H,30,31)/t19-,23+,25-/m0/s1
InChIKeyFMQAXFNCZIIXOR-CYSDGLOUSA-N
XLogP5.38
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.34
LogP ≤ 55.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3R,4'S,6'R)-6-chloro-4'-(3-chlorophenyl)-6'-(5-fluoro-2-methoxyphenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3R,4'S,6'R)-6-chloro-4'-(3-chlorophenyl)-6'-(5-fluoro-2-methoxyphenyl)spiro[1H-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-methoxyphenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione (CID 24788184) is (3R,4'S,6'R)-6-chloro-4'-(3-chlorophenyl)-6'-(5-fluoro-2-methoxyphenyl)spiro[1H-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-methoxyphenyl)spiro[1H-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-methoxyphenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione is COc1ccc(F)cc1[C@H]1NC(=O)C[C@@H](c2cccc(Cl)c2)[C@]12C(=O)Nc1cc(Cl)ccc12.
What is the InChIKey of (3R,4'S,6'R)-6-chloro-4'-(3-chlorophenyl)-6'-(5-fluoro-2-methoxyphenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione?
The InChIKey is FMQAXFNCZIIXOR-CYSDGLOUSA-N. The full InChI is InChI=1S/C25H19Cl2FN2O3/c1-33-21-8-6-16(28)11-17(21)23-25(18-7-5-15(27)10-20(18)29-24(25)32)19(12-22(31)30-23)13-3-2-4-14(26)9-13/h2-11,19,23H,12H2,1H3,(H,29,32)(H,30,31)/t19-,23+,25-/m0/s1.
What are the key properties of (3R,4'S,6'R)-6-chloro-4'-(3-chlorophenyl)-6'-(5-fluoro-2-methoxyphenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione?
(3R,4'S,6'R)-6-chloro-4'-(3-chlorophenyl)-6'-(5-fluoro-2-methoxyphenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione has a molecular weight of 485.34 g/mol, XLogP of 5.38, 3 rotatable bonds, 2 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-methoxyphenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione is sourced from PubChem (CID 24788184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).