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

C25H19Cl2FN2O2 — CID 141183585

IUPAC1'-chloro-4'-(3-chlorophenyl)-6'-(5-fluoro-2-methylphenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione
SMILESCc1ccc(F)cc1C1N(Cl)C(=O)CC(c2cccc(Cl)c2)C12C(=O)Nc1ccccc12
InChIInChI=1S/C25H19Cl2FN2O2/c1-14-9-10-17(28)12-18(14)23-25(19-7-2-3-8-21(19)29-24(25)32)20(13-22(31)30(23)27)15-5-4-6-16(26)11-15/h2-12,20,23H,13H2,1H3,(H,29,32)
InChIKeyOWPCBLKZVYKERS-UHFFFAOYSA-N
MW469.34 g/mol
LogP5.89
Rot. Bonds2

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

1'-chloro-4'-(3-chlorophenyl)-6'-(5-fluoro-2-methylphenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione (PubChem CID 141183585) has the molecular formula C25H19Cl2FN2O2 and a molecular weight of 469.34 g/mol. Its IUPAC name is 1'-chloro-4'-(3-chlorophenyl)-6'-(5-fluoro-2-methylphenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione.

Molecular Properties

Compound Name1'-chloro-4'-(3-chlorophenyl)-6'-(5-fluoro-2-methylphenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione
PubChem CID141183585
Molecular FormulaC25H19Cl2FN2O2
Molecular Weight469.34 g/mol
Exact Mass468.08
IUPAC Name1'-chloro-4'-(3-chlorophenyl)-6'-(5-fluoro-2-methylphenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione
SMILESCc1ccc(F)cc1C1N(Cl)C(=O)CC(c2cccc(Cl)c2)C12C(=O)Nc1ccccc12
InChIInChI=1S/C25H19Cl2FN2O2/c1-14-9-10-17(28)12-18(14)23-25(19-7-2-3-8-21(19)29-24(25)32)20(13-22(31)30(23)27)15-5-4-6-16(26)11-15/h2-12,20,23H,13H2,1H3,(H,29,32)
InChIKeyOWPCBLKZVYKERS-UHFFFAOYSA-N
XLogP5.89
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.34
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

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'-(5-fluoro-2-methylphenyl)-1'-methylspiro[1H-indole-3,5'-piperidine]-2,2'-dione
CID 68963007
(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
1'-chloro-4'-(3-chlorophenyl)-6'-prop-1-en-2-ylspiro[1H-indole-3,5'-piperidine]-2,2'-dione
CID 141183576
(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
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
(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'S,3S,4'R)-6-chloro-4'-(3-chlorophenyl)-2'-(5-fluoro-2-methylphenyl)-6'-piperazin-1-ylspiro[1H-indole-3,3'-4,5-dihydro-2H-pyridine]-2-one
CID 24876077
2-[6-chloro-4'-(3-chlorophenyl)-2'-(2-methylphenyl)-2,6'-dioxospiro[1H-indole-3,3'-piperidine]-1'-yl]acetic acid
CID 73315581
(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
2-[4'-(5-fluoro-2-methylphenyl)-2,2'-dioxospiro[1H-indole-3,5'-piperidine]-1'-yl]acetic acid
CID 143538296
(3'S,5'R)-6-chloro-3'-(3-chlorophenyl)-5'-(3-fluorophenyl)spiro[1H-indole-3,4'-cyclohexane]-1',2-dione
CID 67212969

Frequently Asked Questions

What is the IUPAC name of 1'-chloro-4'-(3-chlorophenyl)-6'-(5-fluoro-2-methylphenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione?
The IUPAC name of 1'-chloro-4'-(3-chlorophenyl)-6'-(5-fluoro-2-methylphenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione (CID 141183585) is 1'-chloro-4'-(3-chlorophenyl)-6'-(5-fluoro-2-methylphenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione.
What is the SMILES notation for 1'-chloro-4'-(3-chlorophenyl)-6'-(5-fluoro-2-methylphenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione?
The canonical SMILES for 1'-chloro-4'-(3-chlorophenyl)-6'-(5-fluoro-2-methylphenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione is Cc1ccc(F)cc1C1N(Cl)C(=O)CC(c2cccc(Cl)c2)C12C(=O)Nc1ccccc12.
What is the InChIKey of 1'-chloro-4'-(3-chlorophenyl)-6'-(5-fluoro-2-methylphenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione?
The InChIKey is OWPCBLKZVYKERS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19Cl2FN2O2/c1-14-9-10-17(28)12-18(14)23-25(19-7-2-3-8-21(19)29-24(25)32)20(13-22(31)30(23)27)15-5-4-6-16(26)11-15/h2-12,20,23H,13H2,1H3,(H,29,32).
What are the key properties of 1'-chloro-4'-(3-chlorophenyl)-6'-(5-fluoro-2-methylphenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione?
1'-chloro-4'-(3-chlorophenyl)-6'-(5-fluoro-2-methylphenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione has a molecular weight of 469.34 g/mol, XLogP of 5.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-chloro-4'-(3-chlorophenyl)-6'-(5-fluoro-2-methylphenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione is sourced from PubChem (CID 141183585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).