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

C25H17Cl3FNO2 — CID 24994219

IUPAC(3S,3'R,5'S)-6-chloro-3'-(3-chloro-5-fluorophenyl)-5'-(3-chlorophenyl)spiro[1H-indole-3,4'-cyclohexane]-1',2-dione
SMILESO=C1C[C@H](c2cc(F)cc(Cl)c2)[C@@]2(C(=O)Nc3cc(Cl)ccc32)[C@H](c2cccc(Cl)c2)C1
InChIInChI=1S/C25H17Cl3FNO2/c26-15-3-1-2-13(6-15)21-11-19(31)12-22(14-7-17(28)9-18(29)8-14)25(21)20-5-4-16(27)10-23(20)30-24(25)32/h1-10,21-22H,11-12H2,(H,30,32)/t21-,22+,25-/m0/s1
InChIKeyYLUWQAFHXCROPZ-FBLLAGFSSA-N
MW488.77 g/mol
LogP6.91
Rot. Bonds2

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

(3S,3'R,5'S)-6-chloro-3'-(3-chloro-5-fluorophenyl)-5'-(3-chlorophenyl)spiro[1H-indole-3,4'-cyclohexane]-1',2-dione (PubChem CID 24994219) has the molecular formula C25H17Cl3FNO2 and a molecular weight of 488.77 g/mol. Its IUPAC name is (3S,3'R,5'S)-6-chloro-3'-(3-chloro-5-fluorophenyl)-5'-(3-chlorophenyl)spiro[1H-indole-3,4'-cyclohexane]-1',2-dione.

Molecular Properties

Compound Name(3S,3'R,5'S)-6-chloro-3'-(3-chloro-5-fluorophenyl)-5'-(3-chlorophenyl)spiro[1H-indole-3,4'-cyclohexane]-1',2-dione
PubChem CID24994219
Molecular FormulaC25H17Cl3FNO2
Molecular Weight488.77 g/mol
Exact Mass487.03
IUPAC Name(3S,3'R,5'S)-6-chloro-3'-(3-chloro-5-fluorophenyl)-5'-(3-chlorophenyl)spiro[1H-indole-3,4'-cyclohexane]-1',2-dione
SMILESO=C1C[C@H](c2cc(F)cc(Cl)c2)[C@@]2(C(=O)Nc3cc(Cl)ccc32)[C@H](c2cccc(Cl)c2)C1
InChIInChI=1S/C25H17Cl3FNO2/c26-15-3-1-2-13(6-15)21-11-19(31)12-22(14-7-17(28)9-18(29)8-14)25(21)20-5-4-16(27)10-23(20)30-24(25)32/h1-10,21-22H,11-12H2,(H,30,32)/t21-,22+,25-/m0/s1
InChIKeyYLUWQAFHXCROPZ-FBLLAGFSSA-N
XLogP6.91
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.77
LogP ≤ 56.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

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Frequently Asked Questions

What is the IUPAC name of (3S,3'R,5'S)-6-chloro-3'-(3-chloro-5-fluorophenyl)-5'-(3-chlorophenyl)spiro[1H-indole-3,4'-cyclohexane]-1',2-dione?
The IUPAC name of (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) is (3S,3'R,5'S)-6-chloro-3'-(3-chloro-5-fluorophenyl)-5'-(3-chlorophenyl)spiro[1H-indole-3,4'-cyclohexane]-1',2-dione.
What is the SMILES notation for (3S,3'R,5'S)-6-chloro-3'-(3-chloro-5-fluorophenyl)-5'-(3-chlorophenyl)spiro[1H-indole-3,4'-cyclohexane]-1',2-dione?
The canonical SMILES for (3S,3'R,5'S)-6-chloro-3'-(3-chloro-5-fluorophenyl)-5'-(3-chlorophenyl)spiro[1H-indole-3,4'-cyclohexane]-1',2-dione is O=C1C[C@H](c2cc(F)cc(Cl)c2)[C@@]2(C(=O)Nc3cc(Cl)ccc32)[C@H](c2cccc(Cl)c2)C1.
What is the InChIKey of (3S,3'R,5'S)-6-chloro-3'-(3-chloro-5-fluorophenyl)-5'-(3-chlorophenyl)spiro[1H-indole-3,4'-cyclohexane]-1',2-dione?
The InChIKey is YLUWQAFHXCROPZ-FBLLAGFSSA-N. The full InChI is InChI=1S/C25H17Cl3FNO2/c26-15-3-1-2-13(6-15)21-11-19(31)12-22(14-7-17(28)9-18(29)8-14)25(21)20-5-4-16(27)10-23(20)30-24(25)32/h1-10,21-22H,11-12H2,(H,30,32)/t21-,22+,25-/m0/s1.
What are the key properties of (3S,3'R,5'S)-6-chloro-3'-(3-chloro-5-fluorophenyl)-5'-(3-chlorophenyl)spiro[1H-indole-3,4'-cyclohexane]-1',2-dione?
(3S,3'R,5'S)-6-chloro-3'-(3-chloro-5-fluorophenyl)-5'-(3-chlorophenyl)spiro[1H-indole-3,4'-cyclohexane]-1',2-dione has a molecular weight of 488.77 g/mol, XLogP of 6.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,3'R,5'S)-6-chloro-3'-(3-chloro-5-fluorophenyl)-5'-(3-chlorophenyl)spiro[1H-indole-3,4'-cyclohexane]-1',2-dione is sourced from PubChem (CID 24994219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).