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

C22H19Cl2FN2O2 — CID 68959940

IUPAC(3R,4'S,6'R)-6-chloro-4'-(3-chlorophenyl)-6'-(1-fluoro-2-methylprop-1-enyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione
SMILESCC(C)=C(F)[C@@H]1NC(=O)C[C@@H](c2cccc(Cl)c2)[C@]12C(=O)Nc1cc(Cl)ccc12
InChIInChI=1S/C22H19Cl2FN2O2/c1-11(2)19(25)20-22(15-7-6-14(24)9-17(15)26-21(22)29)16(10-18(28)27-20)12-4-3-5-13(23)8-12/h3-9,16,20H,10H2,1-2H3,(H,26,29)(H,27,28)/t16-,20-,22-/m0/s1
InChIKeyRQBOYWIETNHFGO-BUKVSMQUSA-N
MW433.31 g/mol
LogP5.12
Rot. Bonds2

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

(3R,4'S,6'R)-6-chloro-4'-(3-chlorophenyl)-6'-(1-fluoro-2-methylprop-1-enyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione (PubChem CID 68959940) has the molecular formula C22H19Cl2FN2O2 and a molecular weight of 433.31 g/mol. Its IUPAC name is (3R,4'S,6'R)-6-chloro-4'-(3-chlorophenyl)-6'-(1-fluoro-2-methylprop-1-enyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione.

Molecular Properties

Compound Name(3R,4'S,6'R)-6-chloro-4'-(3-chlorophenyl)-6'-(1-fluoro-2-methylprop-1-enyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione
PubChem CID68959940
Molecular FormulaC22H19Cl2FN2O2
Molecular Weight433.31 g/mol
Exact Mass432.08
IUPAC Name(3R,4'S,6'R)-6-chloro-4'-(3-chlorophenyl)-6'-(1-fluoro-2-methylprop-1-enyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione
SMILESCC(C)=C(F)[C@@H]1NC(=O)C[C@@H](c2cccc(Cl)c2)[C@]12C(=O)Nc1cc(Cl)ccc12
InChIInChI=1S/C22H19Cl2FN2O2/c1-11(2)19(25)20-22(15-7-6-14(24)9-17(15)26-21(22)29)16(10-18(28)27-20)12-4-3-5-13(23)8-12/h3-9,16,20H,10H2,1-2H3,(H,26,29)(H,27,28)/t16-,20-,22-/m0/s1
InChIKeyRQBOYWIETNHFGO-BUKVSMQUSA-N
XLogP5.12
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.31
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (3R,4'S,6'R)-6-chloro-4'-(3-chlorophenyl)-6'-(1-fluoro-2-methylprop-1-enyl)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'R)-6-chloro-4'-(3-chlorophenyl)-6'-(1-fluoro-2-methylprop-1-enyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione?
The IUPAC name of (3R,4'S,6'R)-6-chloro-4'-(3-chlorophenyl)-6'-(1-fluoro-2-methylprop-1-enyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione (CID 68959940) is (3R,4'S,6'R)-6-chloro-4'-(3-chlorophenyl)-6'-(1-fluoro-2-methylprop-1-enyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione.
What is the SMILES notation for (3R,4'S,6'R)-6-chloro-4'-(3-chlorophenyl)-6'-(1-fluoro-2-methylprop-1-enyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione?
The canonical SMILES for (3R,4'S,6'R)-6-chloro-4'-(3-chlorophenyl)-6'-(1-fluoro-2-methylprop-1-enyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione is CC(C)=C(F)[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'R)-6-chloro-4'-(3-chlorophenyl)-6'-(1-fluoro-2-methylprop-1-enyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione?
The InChIKey is RQBOYWIETNHFGO-BUKVSMQUSA-N. The full InChI is InChI=1S/C22H19Cl2FN2O2/c1-11(2)19(25)20-22(15-7-6-14(24)9-17(15)26-21(22)29)16(10-18(28)27-20)12-4-3-5-13(23)8-12/h3-9,16,20H,10H2,1-2H3,(H,26,29)(H,27,28)/t16-,20-,22-/m0/s1.
What are the key properties of (3R,4'S,6'R)-6-chloro-4'-(3-chlorophenyl)-6'-(1-fluoro-2-methylprop-1-enyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione?
(3R,4'S,6'R)-6-chloro-4'-(3-chlorophenyl)-6'-(1-fluoro-2-methylprop-1-enyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione has a molecular weight of 433.31 g/mol, XLogP of 5.12, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4'S,6'R)-6-chloro-4'-(3-chlorophenyl)-6'-(1-fluoro-2-methylprop-1-enyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione is sourced from PubChem (CID 68959940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).