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

C25H18Cl2FNO2 — CID 67212969

IUPAC(3'S,5'R)-6-chloro-3'-(3-chlorophenyl)-5'-(3-fluorophenyl)spiro[1H-indole-3,4'-cyclohexane]-1',2-dione
SMILESO=C1C[C@H](c2cccc(F)c2)C2(C(=O)Nc3cc(Cl)ccc32)[C@H](c2cccc(Cl)c2)C1
InChIInChI=1S/C25H18Cl2FNO2/c26-16-5-1-3-14(9-16)21-12-19(30)13-22(15-4-2-6-18(28)10-15)25(21)20-8-7-17(27)11-23(20)29-24(25)31/h1-11,21-22H,12-13H2,(H,29,31)/t21-,22+,25?/m0/s1
InChIKeyLSXJENRGLUDCCN-FQTTXOOSSA-N
MW454.33 g/mol
LogP6.25
Rot. Bonds2

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

(3'S,5'R)-6-chloro-3'-(3-chlorophenyl)-5'-(3-fluorophenyl)spiro[1H-indole-3,4'-cyclohexane]-1',2-dione (PubChem CID 67212969) has the molecular formula C25H18Cl2FNO2 and a molecular weight of 454.33 g/mol. Its IUPAC name is (3'S,5'R)-6-chloro-3'-(3-chlorophenyl)-5'-(3-fluorophenyl)spiro[1H-indole-3,4'-cyclohexane]-1',2-dione.

Molecular Properties

Compound Name(3'S,5'R)-6-chloro-3'-(3-chlorophenyl)-5'-(3-fluorophenyl)spiro[1H-indole-3,4'-cyclohexane]-1',2-dione
PubChem CID67212969
Molecular FormulaC25H18Cl2FNO2
Molecular Weight454.33 g/mol
Exact Mass453.07
IUPAC Name(3'S,5'R)-6-chloro-3'-(3-chlorophenyl)-5'-(3-fluorophenyl)spiro[1H-indole-3,4'-cyclohexane]-1',2-dione
SMILESO=C1C[C@H](c2cccc(F)c2)C2(C(=O)Nc3cc(Cl)ccc32)[C@H](c2cccc(Cl)c2)C1
InChIInChI=1S/C25H18Cl2FNO2/c26-16-5-1-3-14(9-16)21-12-19(30)13-22(15-4-2-6-18(28)10-15)25(21)20-8-7-17(27)11-23(20)29-24(25)31/h1-11,21-22H,12-13H2,(H,29,31)/t21-,22+,25?/m0/s1
InChIKeyLSXJENRGLUDCCN-FQTTXOOSSA-N
XLogP6.25
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.33
LogP ≤ 56.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-chloro-3'-(3-chloro-5-fluorophenyl)-5'-(3-chlorophenyl)spiro[1H-indole-3,4'-cyclohexane]-1',2-dione
CID 67212911
(3S,3'R,5'S)-6-chloro-3'-(3-chloro-5-fluorophenyl)-5'-(3-chlorophenyl)spiro[1H-indole-3,4'-cyclohexane]-1',2-dione
CID 24994219
(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
6-chloro-4'-(3-chlorophenyl)-6'-phenylspiro[1H-indole-3,5'-azepane]-2,2'-dione
CID 91616341
6-chloro-4'-(3-chlorophenyl)-6'-(3-fluorophenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione;1-methoxyethyl(trimethyl)silane
CID 86622028
(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-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
(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
chlorobenzene;(3R,6'R)-6-chloro-6'-(3-fluorophenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione
CID 143538330
6-chloro-4'-(3-chlorophenyl)-6'-methoxyspiro[1H-indole-3,5'-azepane]-2,2'-dione
CID 68903435
(3R,4'S,6'S)-6-chloro-4'-(3-chlorophenyl)-6'-(2-methylpropyl)spiro[1H-indole-3,5'-azepane]-2,2'-dione
CID 68904501

Frequently Asked Questions

What is the IUPAC name of (3'S,5'R)-6-chloro-3'-(3-chlorophenyl)-5'-(3-fluorophenyl)spiro[1H-indole-3,4'-cyclohexane]-1',2-dione?
The IUPAC name of (3'S,5'R)-6-chloro-3'-(3-chlorophenyl)-5'-(3-fluorophenyl)spiro[1H-indole-3,4'-cyclohexane]-1',2-dione (CID 67212969) is (3'S,5'R)-6-chloro-3'-(3-chlorophenyl)-5'-(3-fluorophenyl)spiro[1H-indole-3,4'-cyclohexane]-1',2-dione.
What is the SMILES notation for (3'S,5'R)-6-chloro-3'-(3-chlorophenyl)-5'-(3-fluorophenyl)spiro[1H-indole-3,4'-cyclohexane]-1',2-dione?
The canonical SMILES for (3'S,5'R)-6-chloro-3'-(3-chlorophenyl)-5'-(3-fluorophenyl)spiro[1H-indole-3,4'-cyclohexane]-1',2-dione is O=C1C[C@H](c2cccc(F)c2)C2(C(=O)Nc3cc(Cl)ccc32)[C@H](c2cccc(Cl)c2)C1.
What is the InChIKey of (3'S,5'R)-6-chloro-3'-(3-chlorophenyl)-5'-(3-fluorophenyl)spiro[1H-indole-3,4'-cyclohexane]-1',2-dione?
The InChIKey is LSXJENRGLUDCCN-FQTTXOOSSA-N. The full InChI is InChI=1S/C25H18Cl2FNO2/c26-16-5-1-3-14(9-16)21-12-19(30)13-22(15-4-2-6-18(28)10-15)25(21)20-8-7-17(27)11-23(20)29-24(25)31/h1-11,21-22H,12-13H2,(H,29,31)/t21-,22+,25?/m0/s1.
What are the key properties of (3'S,5'R)-6-chloro-3'-(3-chlorophenyl)-5'-(3-fluorophenyl)spiro[1H-indole-3,4'-cyclohexane]-1',2-dione?
(3'S,5'R)-6-chloro-3'-(3-chlorophenyl)-5'-(3-fluorophenyl)spiro[1H-indole-3,4'-cyclohexane]-1',2-dione has a molecular weight of 454.33 g/mol, XLogP of 6.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3'S,5'R)-6-chloro-3'-(3-chlorophenyl)-5'-(3-fluorophenyl)spiro[1H-indole-3,4'-cyclohexane]-1',2-dione is sourced from PubChem (CID 67212969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).