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

C26H24Cl2N2O — CID 24875700

IUPAC(2'R,3R,4'S)-6-chloro-4'-(3-chlorophenyl)-2'-(2,6-dimethylphenyl)spiro[1H-indole-3,3'-piperidine]-2-one
SMILESCc1cccc(C)c1[C@H]1NCC[C@@H](c2cccc(Cl)c2)[C@]12C(=O)Nc1cc(Cl)ccc12
InChIInChI=1S/C26H24Cl2N2O/c1-15-5-3-6-16(2)23(15)24-26(21-10-9-19(28)14-22(21)30-25(26)31)20(11-12-29-24)17-7-4-8-18(27)13-17/h3-10,13-14,20,24,29H,11-12H2,1-2H3,(H,30,31)/t20-,24+,26+/m0/s1
InChIKeyOAGCLINAUWWVCS-HQCZVFHSSA-N
MW451.40 g/mol
LogP6.32
Rot. Bonds2

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

(2'R,3R,4'S)-6-chloro-4'-(3-chlorophenyl)-2'-(2,6-dimethylphenyl)spiro[1H-indole-3,3'-piperidine]-2-one (PubChem CID 24875700) has the molecular formula C26H24Cl2N2O and a molecular weight of 451.40 g/mol. Its IUPAC name is (2'R,3R,4'S)-6-chloro-4'-(3-chlorophenyl)-2'-(2,6-dimethylphenyl)spiro[1H-indole-3,3'-piperidine]-2-one.

Molecular Properties

Compound Name(2'R,3R,4'S)-6-chloro-4'-(3-chlorophenyl)-2'-(2,6-dimethylphenyl)spiro[1H-indole-3,3'-piperidine]-2-one
PubChem CID24875700
Molecular FormulaC26H24Cl2N2O
Molecular Weight451.40 g/mol
Exact Mass450.13
IUPAC Name(2'R,3R,4'S)-6-chloro-4'-(3-chlorophenyl)-2'-(2,6-dimethylphenyl)spiro[1H-indole-3,3'-piperidine]-2-one
SMILESCc1cccc(C)c1[C@H]1NCC[C@@H](c2cccc(Cl)c2)[C@]12C(=O)Nc1cc(Cl)ccc12
InChIInChI=1S/C26H24Cl2N2O/c1-15-5-3-6-16(2)23(15)24-26(21-10-9-19(28)14-22(21)30-25(26)31)20(11-12-29-24)17-7-4-8-18(27)13-17/h3-10,13-14,20,24,29H,11-12H2,1-2H3,(H,30,31)/t20-,24+,26+/m0/s1
InChIKeyOAGCLINAUWWVCS-HQCZVFHSSA-N
XLogP6.32
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.40
LogP ≤ 56.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-chloro-4'-(3-chlorophenyl)-2'-(2,5-dimethylphenyl)spiro[1H-indole-3,3'-piperidine]-2-one
CID 72558263
3-[(2'R,3R,4'S)-6-chloro-4'-(3-chlorophenyl)-2-oxospiro[1H-indole-3,3'-piperidine]-2'-yl]benzonitrile
CID 24875426
(2'R,3R,4'S)-6-chloro-4'-(3-chlorophenyl)-2'-pentan-3-ylspiro[1H-indole-3,3'-piperidine]-2-one
CID 24875699
6-chloro-2'-(3-chlorophenyl)-4'-(2,2-dimethylpropyl)spiro[1H-indole-3,3'-piperidine]-2-one
CID 72558251
6-chloro-6'-(3-chlorophenyl)-4'-phenylspiro[1H-indole-3,5'-piperidine]-2,2'-dione
CID 131727313
(3S,4'R,6'S)-6-chloro-6'-(2-chlorophenyl)-4'-(3-chlorophenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione
CID 68958160
(3S,4'R,6'S)-6-chloro-4'-(3-chlorophenyl)-6'-(2-ethylphenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione
CID 68958392
(3R,4'S,6'R)-6-chloro-4'-(3-chlorophenyl)-6'-(2,4-difluorophenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione
CID 68961944
(3R,4'S,6'R)-6-chloro-4'-(3-chlorophenyl)-1'-methyl-6'-(2-methylphenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione
CID 24788928
(3R,4'S,6'R)-6-chloro-4'-(3-chlorophenyl)-6'-(6-ethoxy-2,3-difluorophenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione
CID 173488512
(3'S,5'R)-6-chloro-3'-(3-chlorophenyl)-5'-(3-fluorophenyl)spiro[1H-indole-3,4'-cyclohexane]-1',2-dione
CID 67212969
(3R,4'S,6'S)-6'-(5-bromo-2-iodophenyl)-6-chloro-4'-(3-chlorophenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione
CID 70999482

Frequently Asked Questions

What is the IUPAC name of (2'R,3R,4'S)-6-chloro-4'-(3-chlorophenyl)-2'-(2,6-dimethylphenyl)spiro[1H-indole-3,3'-piperidine]-2-one?
The IUPAC name of (2'R,3R,4'S)-6-chloro-4'-(3-chlorophenyl)-2'-(2,6-dimethylphenyl)spiro[1H-indole-3,3'-piperidine]-2-one (CID 24875700) is (2'R,3R,4'S)-6-chloro-4'-(3-chlorophenyl)-2'-(2,6-dimethylphenyl)spiro[1H-indole-3,3'-piperidine]-2-one.
What is the SMILES notation for (2'R,3R,4'S)-6-chloro-4'-(3-chlorophenyl)-2'-(2,6-dimethylphenyl)spiro[1H-indole-3,3'-piperidine]-2-one?
The canonical SMILES for (2'R,3R,4'S)-6-chloro-4'-(3-chlorophenyl)-2'-(2,6-dimethylphenyl)spiro[1H-indole-3,3'-piperidine]-2-one is Cc1cccc(C)c1[C@H]1NCC[C@@H](c2cccc(Cl)c2)[C@]12C(=O)Nc1cc(Cl)ccc12.
What is the InChIKey of (2'R,3R,4'S)-6-chloro-4'-(3-chlorophenyl)-2'-(2,6-dimethylphenyl)spiro[1H-indole-3,3'-piperidine]-2-one?
The InChIKey is OAGCLINAUWWVCS-HQCZVFHSSA-N. The full InChI is InChI=1S/C26H24Cl2N2O/c1-15-5-3-6-16(2)23(15)24-26(21-10-9-19(28)14-22(21)30-25(26)31)20(11-12-29-24)17-7-4-8-18(27)13-17/h3-10,13-14,20,24,29H,11-12H2,1-2H3,(H,30,31)/t20-,24+,26+/m0/s1.
What are the key properties of (2'R,3R,4'S)-6-chloro-4'-(3-chlorophenyl)-2'-(2,6-dimethylphenyl)spiro[1H-indole-3,3'-piperidine]-2-one?
(2'R,3R,4'S)-6-chloro-4'-(3-chlorophenyl)-2'-(2,6-dimethylphenyl)spiro[1H-indole-3,3'-piperidine]-2-one has a molecular weight of 451.40 g/mol, XLogP of 6.32, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2'R,3R,4'S)-6-chloro-4'-(3-chlorophenyl)-2'-(2,6-dimethylphenyl)spiro[1H-indole-3,3'-piperidine]-2-one is sourced from PubChem (CID 24875700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).