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

C26H22Cl2N2O2 — CID 24788928

IUPAC(3R,4'S,6'R)-6-chloro-4'-(3-chlorophenyl)-1'-methyl-6'-(2-methylphenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione
SMILESCc1ccccc1[C@H]1N(C)C(=O)C[C@@H](c2cccc(Cl)c2)[C@]12C(=O)Nc1cc(Cl)ccc12
InChIInChI=1S/C26H22Cl2N2O2/c1-15-6-3-4-9-19(15)24-26(20-11-10-18(28)13-22(20)29-25(26)32)21(14-23(31)30(24)2)16-7-5-8-17(27)12-16/h3-13,21,24H,14H2,1-2H3,(H,29,32)/t21-,24+,26-/m0/s1
InChIKeyRFZQPJPDOBIOEG-NZJKTDFXSA-N
MW465.38 g/mol
LogP5.88
Rot. Bonds2

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

(3R,4'S,6'R)-6-chloro-4'-(3-chlorophenyl)-1'-methyl-6'-(2-methylphenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione (PubChem CID 24788928) has the molecular formula C26H22Cl2N2O2 and a molecular weight of 465.38 g/mol. Its IUPAC name is (3R,4'S,6'R)-6-chloro-4'-(3-chlorophenyl)-1'-methyl-6'-(2-methylphenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione.

Molecular Properties

Compound Name(3R,4'S,6'R)-6-chloro-4'-(3-chlorophenyl)-1'-methyl-6'-(2-methylphenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione
PubChem CID24788928
Molecular FormulaC26H22Cl2N2O2
Molecular Weight465.38 g/mol
Exact Mass464.11
IUPAC Name(3R,4'S,6'R)-6-chloro-4'-(3-chlorophenyl)-1'-methyl-6'-(2-methylphenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione
SMILESCc1ccccc1[C@H]1N(C)C(=O)C[C@@H](c2cccc(Cl)c2)[C@]12C(=O)Nc1cc(Cl)ccc12
InChIInChI=1S/C26H22Cl2N2O2/c1-15-6-3-4-9-19(15)24-26(20-11-10-18(28)13-22(20)29-25(26)32)21(14-23(31)30(24)2)16-7-5-8-17(27)12-16/h3-13,21,24H,14H2,1-2H3,(H,29,32)/t21-,24+,26-/m0/s1
InChIKeyRFZQPJPDOBIOEG-NZJKTDFXSA-N
XLogP5.88
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.38
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S,4'R,6'S)-6-chloro-4'-(3-chlorophenyl)-6'-(5-fluoro-2-methylphenyl)-1'-methylspiro[1H-indole-3,5'-piperidine]-2,2'-dione
CID 68963007
2-[6-chloro-4'-(3-chlorophenyl)-2'-(2-methylphenyl)-2,6'-dioxospiro[1H-indole-3,3'-piperidine]-1'-yl]acetic acid
CID 73315581
2-[6-chloro-4'-(3-chlorophenyl)-2'-(2-methylphenyl)-2,6'-dioxospiro[1H-indole-3,3'-piperidine]-1'-yl]-N-cyclopropylacetamide
CID 74371670
(3S,4'R,6'S)-6-chloro-6'-(2-chlorophenyl)-4'-(3-chlorophenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione
CID 68958160
1'-chloro-4'-(3-chlorophenyl)-6'-(5-fluoro-2-methylphenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione
CID 141183585
1'-chloro-6'-(2-chlorophenyl)-4'-(3-chlorophenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione
CID 141183541
(3S,4'R,6'S)-6-chloro-4'-(3-chlorophenyl)-6'-(2-ethylphenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione
CID 68958392
(6'R,8'S)-6-chloro-8'-(3-chlorophenyl)-6'-(5-fluoro-2-methylphenyl)spiro[1H-indole-3,7'-4,6,8,9-tetrahydro-2H-pyrido[2,1-c][1,2,4]triazine]-2,3'-dione
CID 25120793
(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
2-[(2'R,3R,4'S)-6-chloro-4'-(3-chlorophenyl)-2'-(5-fluoro-2-methylphenyl)-2,6'-dioxospiro[1H-indole-3,3'-piperidine]-1'-yl]-N-(1-methylpiperidin-4-yl)acetamide
CID 24788389
6-chloro-4'-(3-chlorophenyl)-6'-phenylspiro[1H-indole-3,5'-azepane]-2,2'-dione
CID 91616341
6-chloro-6'-(3-chlorophenyl)-4'-phenylspiro[1H-indole-3,5'-piperidine]-2,2'-dione
CID 131727313

Frequently Asked Questions

What is the IUPAC name of (3R,4'S,6'R)-6-chloro-4'-(3-chlorophenyl)-1'-methyl-6'-(2-methylphenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione?
The IUPAC name of (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) is (3R,4'S,6'R)-6-chloro-4'-(3-chlorophenyl)-1'-methyl-6'-(2-methylphenyl)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)-1'-methyl-6'-(2-methylphenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione?
The canonical SMILES for (3R,4'S,6'R)-6-chloro-4'-(3-chlorophenyl)-1'-methyl-6'-(2-methylphenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione is Cc1ccccc1[C@H]1N(C)C(=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)-1'-methyl-6'-(2-methylphenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione?
The InChIKey is RFZQPJPDOBIOEG-NZJKTDFXSA-N. The full InChI is InChI=1S/C26H22Cl2N2O2/c1-15-6-3-4-9-19(15)24-26(20-11-10-18(28)13-22(20)29-25(26)32)21(14-23(31)30(24)2)16-7-5-8-17(27)12-16/h3-13,21,24H,14H2,1-2H3,(H,29,32)/t21-,24+,26-/m0/s1.
What are the key properties of (3R,4'S,6'R)-6-chloro-4'-(3-chlorophenyl)-1'-methyl-6'-(2-methylphenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione?
(3R,4'S,6'R)-6-chloro-4'-(3-chlorophenyl)-1'-methyl-6'-(2-methylphenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione has a molecular weight of 465.38 g/mol, XLogP of 5.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4'S,6'R)-6-chloro-4'-(3-chlorophenyl)-1'-methyl-6'-(2-methylphenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione is sourced from PubChem (CID 24788928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).