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

C24H17Cl3N2O2 — CID 68958160

IUPAC(3S,4'R,6'S)-6-chloro-6'-(2-chlorophenyl)-4'-(3-chlorophenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione
SMILESO=C1C[C@H](c2cccc(Cl)c2)[C@@]2(C(=O)Nc3cc(Cl)ccc32)[C@@H](c2ccccc2Cl)N1
InChIInChI=1S/C24H17Cl3N2O2/c25-14-5-3-4-13(10-14)18-12-21(30)29-22(16-6-1-2-7-19(16)27)24(18)17-9-8-15(26)11-20(17)28-23(24)31/h1-11,18,22H,12H2,(H,28,31)(H,29,30)/t18-,22-,24-/m1/s1
InChIKeyXWAYYQGUFFDVSK-IHLLOCCUSA-N
MW471.77 g/mol
LogP5.88
Rot. Bonds2

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

(3S,4'R,6'S)-6-chloro-6'-(2-chlorophenyl)-4'-(3-chlorophenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione (PubChem CID 68958160) has the molecular formula C24H17Cl3N2O2 and a molecular weight of 471.77 g/mol. Its IUPAC name is (3S,4'R,6'S)-6-chloro-6'-(2-chlorophenyl)-4'-(3-chlorophenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione.

Molecular Properties

Compound Name(3S,4'R,6'S)-6-chloro-6'-(2-chlorophenyl)-4'-(3-chlorophenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione
PubChem CID68958160
Molecular FormulaC24H17Cl3N2O2
Molecular Weight471.77 g/mol
Exact Mass470.04
IUPAC Name(3S,4'R,6'S)-6-chloro-6'-(2-chlorophenyl)-4'-(3-chlorophenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione
SMILESO=C1C[C@H](c2cccc(Cl)c2)[C@@]2(C(=O)Nc3cc(Cl)ccc32)[C@@H](c2ccccc2Cl)N1
InChIInChI=1S/C24H17Cl3N2O2/c25-14-5-3-4-13(10-14)18-12-21(30)29-22(16-6-1-2-7-19(16)27)24(18)17-9-8-15(26)11-20(17)28-23(24)31/h1-11,18,22H,12H2,(H,28,31)(H,29,30)/t18-,22-,24-/m1/s1
InChIKeyXWAYYQGUFFDVSK-IHLLOCCUSA-N
XLogP5.88
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.77
LogP ≤ 55.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S,4'R,6'S)-6-chloro-6'-(2-chlorophenyl)-4'-(3-chlorophenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione?
The IUPAC name of (3S,4'R,6'S)-6-chloro-6'-(2-chlorophenyl)-4'-(3-chlorophenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione (CID 68958160) is (3S,4'R,6'S)-6-chloro-6'-(2-chlorophenyl)-4'-(3-chlorophenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione.
What is the SMILES notation for (3S,4'R,6'S)-6-chloro-6'-(2-chlorophenyl)-4'-(3-chlorophenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione?
The canonical SMILES for (3S,4'R,6'S)-6-chloro-6'-(2-chlorophenyl)-4'-(3-chlorophenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione is O=C1C[C@H](c2cccc(Cl)c2)[C@@]2(C(=O)Nc3cc(Cl)ccc32)[C@@H](c2ccccc2Cl)N1.
What is the InChIKey of (3S,4'R,6'S)-6-chloro-6'-(2-chlorophenyl)-4'-(3-chlorophenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione?
The InChIKey is XWAYYQGUFFDVSK-IHLLOCCUSA-N. The full InChI is InChI=1S/C24H17Cl3N2O2/c25-14-5-3-4-13(10-14)18-12-21(30)29-22(16-6-1-2-7-19(16)27)24(18)17-9-8-15(26)11-20(17)28-23(24)31/h1-11,18,22H,12H2,(H,28,31)(H,29,30)/t18-,22-,24-/m1/s1.
What are the key properties of (3S,4'R,6'S)-6-chloro-6'-(2-chlorophenyl)-4'-(3-chlorophenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione?
(3S,4'R,6'S)-6-chloro-6'-(2-chlorophenyl)-4'-(3-chlorophenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione has a molecular weight of 471.77 g/mol, XLogP of 5.88, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4'R,6'S)-6-chloro-6'-(2-chlorophenyl)-4'-(3-chlorophenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione is sourced from PubChem (CID 68958160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).