6-chloro-4'-(3-chlorophenyl)-2'-(2,5-dimethylphenyl)spiro[1H-indole-3,3'-piperidine]-2-one

C26H24Cl2N2O — CID 72558263

IUPAC6-chloro-4'-(3-chlorophenyl)-2'-(2,5-dimethylphenyl)spiro[1H-indole-3,3'-piperidine]-2-one
SMILESCc1ccc(C)c(C2NCCC(c3cccc(Cl)c3)C23C(=O)Nc2cc(Cl)ccc23)c1
InChIInChI=1S/C26H24Cl2N2O/c1-15-6-7-16(2)20(12-15)24-26(22-9-8-19(28)14-23(22)30-25(26)31)21(10-11-29-24)17-4-3-5-18(27)13-17/h3-9,12-14,21,24,29H,10-11H2,1-2H3,(H,30,31)
InChIKeyPQVGRNISDHKUQG-UHFFFAOYSA-N
MW451.40 g/mol
LogP6.32
Rot. Bonds2

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

6-chloro-4'-(3-chlorophenyl)-2'-(2,5-dimethylphenyl)spiro[1H-indole-3,3'-piperidine]-2-one (PubChem CID 72558263) has the molecular formula C26H24Cl2N2O and a molecular weight of 451.40 g/mol. Its IUPAC name is 6-chloro-4'-(3-chlorophenyl)-2'-(2,5-dimethylphenyl)spiro[1H-indole-3,3'-piperidine]-2-one.

Molecular Properties

Compound Name6-chloro-4'-(3-chlorophenyl)-2'-(2,5-dimethylphenyl)spiro[1H-indole-3,3'-piperidine]-2-one
PubChem CID72558263
Molecular FormulaC26H24Cl2N2O
Molecular Weight451.40 g/mol
Exact Mass450.13
IUPAC Name6-chloro-4'-(3-chlorophenyl)-2'-(2,5-dimethylphenyl)spiro[1H-indole-3,3'-piperidine]-2-one
SMILESCc1ccc(C)c(C2NCCC(c3cccc(Cl)c3)C23C(=O)Nc2cc(Cl)ccc23)c1
InChIInChI=1S/C26H24Cl2N2O/c1-15-6-7-16(2)20(12-15)24-26(22-9-8-19(28)14-23(22)30-25(26)31)21(10-11-29-24)17-4-3-5-18(27)13-17/h3-9,12-14,21,24,29H,10-11H2,1-2H3,(H,30,31)
InChIKeyPQVGRNISDHKUQG-UHFFFAOYSA-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

Analyze 6-chloro-4'-(3-chlorophenyl)-2'-(2,5-dimethylphenyl)spiro[1H-indole-3,3'-piperidine]-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2'R,3R,4'S)-6-chloro-4'-(3-chlorophenyl)-2'-(2,6-dimethylphenyl)spiro[1H-indole-3,3'-piperidine]-2-one
CID 24875700
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
(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
6-chloro-6'-(3-chlorophenyl)-4'-phenylspiro[1H-indole-3,5'-piperidine]-2,2'-dione
CID 131727313
(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
(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-6'-[5-fluoro-2-(4-methylphenoxy)phenyl]-4'-(3-fluorophenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione
CID 70999497
(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 6-chloro-4'-(3-chlorophenyl)-2'-(2,5-dimethylphenyl)spiro[1H-indole-3,3'-piperidine]-2-one?
The IUPAC name of 6-chloro-4'-(3-chlorophenyl)-2'-(2,5-dimethylphenyl)spiro[1H-indole-3,3'-piperidine]-2-one (CID 72558263) is 6-chloro-4'-(3-chlorophenyl)-2'-(2,5-dimethylphenyl)spiro[1H-indole-3,3'-piperidine]-2-one.
What is the SMILES notation for 6-chloro-4'-(3-chlorophenyl)-2'-(2,5-dimethylphenyl)spiro[1H-indole-3,3'-piperidine]-2-one?
The canonical SMILES for 6-chloro-4'-(3-chlorophenyl)-2'-(2,5-dimethylphenyl)spiro[1H-indole-3,3'-piperidine]-2-one is Cc1ccc(C)c(C2NCCC(c3cccc(Cl)c3)C23C(=O)Nc2cc(Cl)ccc23)c1.
What is the InChIKey of 6-chloro-4'-(3-chlorophenyl)-2'-(2,5-dimethylphenyl)spiro[1H-indole-3,3'-piperidine]-2-one?
The InChIKey is PQVGRNISDHKUQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24Cl2N2O/c1-15-6-7-16(2)20(12-15)24-26(22-9-8-19(28)14-23(22)30-25(26)31)21(10-11-29-24)17-4-3-5-18(27)13-17/h3-9,12-14,21,24,29H,10-11H2,1-2H3,(H,30,31).
What are the key properties of 6-chloro-4'-(3-chlorophenyl)-2'-(2,5-dimethylphenyl)spiro[1H-indole-3,3'-piperidine]-2-one?
6-chloro-4'-(3-chlorophenyl)-2'-(2,5-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 6-chloro-4'-(3-chlorophenyl)-2'-(2,5-dimethylphenyl)spiro[1H-indole-3,3'-piperidine]-2-one is sourced from PubChem (CID 72558263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).