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

C26H20Cl2F2N2O3 — CID 24788647

IUPAC(3R,4'S,6'S)-6-chloro-4'-(3-chlorophenyl)-6'-(6-ethoxy-2,3-difluorophenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione
SMILESCCOc1ccc(F)c(F)c1[C@H]1NC(=O)C[C@@H](c2cccc(Cl)c2)[C@]12C(=O)Nc1cc(Cl)ccc12
InChIInChI=1S/C26H20Cl2F2N2O3/c1-2-35-20-9-8-18(29)23(30)22(20)24-26(16-7-6-15(28)11-19(16)31-25(26)34)17(12-21(33)32-24)13-4-3-5-14(27)10-13/h3-11,17,24H,2,12H2,1H3,(H,31,34)(H,32,33)/t17-,24+,26-/m0/s1
InChIKeyLCGRJCJDPCZBTA-NLRIEGLYSA-N
MW517.36 g/mol
LogP5.91
Rot. Bonds4

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

(3R,4'S,6'S)-6-chloro-4'-(3-chlorophenyl)-6'-(6-ethoxy-2,3-difluorophenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione (PubChem CID 24788647) has the molecular formula C26H20Cl2F2N2O3 and a molecular weight of 517.36 g/mol. Its IUPAC name is (3R,4'S,6'S)-6-chloro-4'-(3-chlorophenyl)-6'-(6-ethoxy-2,3-difluorophenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione.

Molecular Properties

Compound Name(3R,4'S,6'S)-6-chloro-4'-(3-chlorophenyl)-6'-(6-ethoxy-2,3-difluorophenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione
PubChem CID24788647
Molecular FormulaC26H20Cl2F2N2O3
Molecular Weight517.36 g/mol
Exact Mass516.08
IUPAC Name(3R,4'S,6'S)-6-chloro-4'-(3-chlorophenyl)-6'-(6-ethoxy-2,3-difluorophenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione
SMILESCCOc1ccc(F)c(F)c1[C@H]1NC(=O)C[C@@H](c2cccc(Cl)c2)[C@]12C(=O)Nc1cc(Cl)ccc12
InChIInChI=1S/C26H20Cl2F2N2O3/c1-2-35-20-9-8-18(29)23(30)22(20)24-26(16-7-6-15(28)11-19(16)31-25(26)34)17(12-21(33)32-24)13-4-3-5-14(27)10-13/h3-11,17,24H,2,12H2,1H3,(H,31,34)(H,32,33)/t17-,24+,26-/m0/s1
InChIKeyLCGRJCJDPCZBTA-NLRIEGLYSA-N
XLogP5.91
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.36
LogP ≤ 55.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

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Frequently Asked Questions

What is the IUPAC name of (3R,4'S,6'S)-6-chloro-4'-(3-chlorophenyl)-6'-(6-ethoxy-2,3-difluorophenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione?
The IUPAC name of (3R,4'S,6'S)-6-chloro-4'-(3-chlorophenyl)-6'-(6-ethoxy-2,3-difluorophenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione (CID 24788647) is (3R,4'S,6'S)-6-chloro-4'-(3-chlorophenyl)-6'-(6-ethoxy-2,3-difluorophenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione.
What is the SMILES notation for (3R,4'S,6'S)-6-chloro-4'-(3-chlorophenyl)-6'-(6-ethoxy-2,3-difluorophenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione?
The canonical SMILES for (3R,4'S,6'S)-6-chloro-4'-(3-chlorophenyl)-6'-(6-ethoxy-2,3-difluorophenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione is CCOc1ccc(F)c(F)c1[C@H]1NC(=O)C[C@@H](c2cccc(Cl)c2)[C@]12C(=O)Nc1cc(Cl)ccc12.
What is the InChIKey of (3R,4'S,6'S)-6-chloro-4'-(3-chlorophenyl)-6'-(6-ethoxy-2,3-difluorophenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione?
The InChIKey is LCGRJCJDPCZBTA-NLRIEGLYSA-N. The full InChI is InChI=1S/C26H20Cl2F2N2O3/c1-2-35-20-9-8-18(29)23(30)22(20)24-26(16-7-6-15(28)11-19(16)31-25(26)34)17(12-21(33)32-24)13-4-3-5-14(27)10-13/h3-11,17,24H,2,12H2,1H3,(H,31,34)(H,32,33)/t17-,24+,26-/m0/s1.
What are the key properties of (3R,4'S,6'S)-6-chloro-4'-(3-chlorophenyl)-6'-(6-ethoxy-2,3-difluorophenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione?
(3R,4'S,6'S)-6-chloro-4'-(3-chlorophenyl)-6'-(6-ethoxy-2,3-difluorophenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione has a molecular weight of 517.36 g/mol, XLogP of 5.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4'S,6'S)-6-chloro-4'-(3-chlorophenyl)-6'-(6-ethoxy-2,3-difluorophenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione is sourced from PubChem (CID 24788647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).