(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

C26H21Cl2FN2O2 — CID 68963007

IUPAC(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
SMILESCc1ccc(F)cc1[C@@H]1N(C)C(=O)C[C@H](c2cccc(Cl)c2)[C@@]12C(=O)Nc1cc(Cl)ccc12
InChIInChI=1S/C26H21Cl2FN2O2/c1-14-6-8-18(29)12-19(14)24-26(20-9-7-17(28)11-22(20)30-25(26)33)21(13-23(32)31(24)2)15-4-3-5-16(27)10-15/h3-12,21,24H,13H2,1-2H3,(H,30,33)/t21-,24+,26-/m1/s1
InChIKeyMLUPQHHYAAUOMU-LJGDZFJRSA-N
MW483.37 g/mol
LogP6.02
Rot. Bonds2

About (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

(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 (PubChem CID 68963007) has the molecular formula C26H21Cl2FN2O2 and a molecular weight of 483.37 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID68963007
Molecular FormulaC26H21Cl2FN2O2
Molecular Weight483.37 g/mol
Exact Mass482.10
IUPAC Name(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
SMILESCc1ccc(F)cc1[C@@H]1N(C)C(=O)C[C@H](c2cccc(Cl)c2)[C@@]12C(=O)Nc1cc(Cl)ccc12
InChIInChI=1S/C26H21Cl2FN2O2/c1-14-6-8-18(29)12-19(14)24-26(20-9-7-17(28)11-22(20)30-25(26)33)21(13-23(32)31(24)2)15-4-3-5-16(27)10-15/h3-12,21,24H,13H2,1-2H3,(H,30,33)/t21-,24+,26-/m1/s1
InChIKeyMLUPQHHYAAUOMU-LJGDZFJRSA-N
XLogP6.02
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.37
LogP ≤ 56.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is Cc1ccc(F)cc1[C@@H]1N(C)C(=O)C[C@H](c2cccc(Cl)c2)[C@@]12C(=O)Nc1cc(Cl)ccc12.
What is the InChIKey of (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?
The InChIKey is MLUPQHHYAAUOMU-LJGDZFJRSA-N. The full InChI is InChI=1S/C26H21Cl2FN2O2/c1-14-6-8-18(29)12-19(14)24-26(20-9-7-17(28)11-22(20)30-25(26)33)21(13-23(32)31(24)2)15-4-3-5-16(27)10-15/h3-12,21,24H,13H2,1-2H3,(H,30,33)/t21-,24+,26-/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 483.37 g/mol, XLogP of 6.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 68963007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).