(2'R,3S,4'R,5'R)-6-chloro-4'-(3-chlorophenyl)-2'-(2,2-dimethylpropyl)-5-fluoro-5'-(hydroxymethyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one

C23H25Cl2FN2O2 — CID 58254206

IUPAC(2'R,3S,4'R,5'R)-6-chloro-4'-(3-chlorophenyl)-2'-(2,2-dimethylpropyl)-5-fluoro-5'-(hydroxymethyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESCC(C)(C)C[C@H]1N[C@@H](CO)[C@H](c2cccc(Cl)c2)[C@@]12C(=O)Nc1cc(Cl)c(F)cc12
InChIInChI=1S/C23H25Cl2FN2O2/c1-22(2,3)10-19-23(14-8-16(26)15(25)9-17(14)28-21(23)30)20(18(11-29)27-19)12-5-4-6-13(24)7-12/h4-9,18-20,27,29H,10-11H2,1-3H3,(H,28,30)/t18-,19+,20-,23-/m0/s1
InChIKeyXCRMMSPQWBXLBL-SRYPRDQNSA-N
MW451.37 g/mol
LogP4.88
Rot. Bonds3

About (2'R,3S,4'R,5'R)-6-chloro-4'-(3-chlorophenyl)-2'-(2,2-dimethylpropyl)-5-fluoro-5'-(hydroxymethyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one

(2'R,3S,4'R,5'R)-6-chloro-4'-(3-chlorophenyl)-2'-(2,2-dimethylpropyl)-5-fluoro-5'-(hydroxymethyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one (PubChem CID 58254206) has the molecular formula C23H25Cl2FN2O2 and a molecular weight of 451.37 g/mol. Its IUPAC name is (2'R,3S,4'R,5'R)-6-chloro-4'-(3-chlorophenyl)-2'-(2,2-dimethylpropyl)-5-fluoro-5'-(hydroxymethyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one.

Molecular Properties

Compound Name(2'R,3S,4'R,5'R)-6-chloro-4'-(3-chlorophenyl)-2'-(2,2-dimethylpropyl)-5-fluoro-5'-(hydroxymethyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
PubChem CID58254206
Molecular FormulaC23H25Cl2FN2O2
Molecular Weight451.37 g/mol
Exact Mass450.13
IUPAC Name(2'R,3S,4'R,5'R)-6-chloro-4'-(3-chlorophenyl)-2'-(2,2-dimethylpropyl)-5-fluoro-5'-(hydroxymethyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESCC(C)(C)C[C@H]1N[C@@H](CO)[C@H](c2cccc(Cl)c2)[C@@]12C(=O)Nc1cc(Cl)c(F)cc12
InChIInChI=1S/C23H25Cl2FN2O2/c1-22(2,3)10-19-23(14-8-16(26)15(25)9-17(14)28-21(23)30)20(18(11-29)27-19)12-5-4-6-13(24)7-12/h4-9,18-20,27,29H,10-11H2,1-3H3,(H,28,30)/t18-,19+,20-,23-/m0/s1
InChIKeyXCRMMSPQWBXLBL-SRYPRDQNSA-N
XLogP4.88
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.37
LogP ≤ 54.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2'R,3S,4'R,5'R)-6-chloro-4'-(3-chlorophenyl)-2'-(2,2-dimethylpropyl)-5-fluoro-5'-(hydroxymethyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2'R,3S,4'R,5'R)-6-chloro-4'-(3-chlorophenyl)-2'-(2,2-dimethylpropyl)-5-fluoro-5'-(hydroxymethyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?
The IUPAC name of (2'R,3S,4'R,5'R)-6-chloro-4'-(3-chlorophenyl)-2'-(2,2-dimethylpropyl)-5-fluoro-5'-(hydroxymethyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one (CID 58254206) is (2'R,3S,4'R,5'R)-6-chloro-4'-(3-chlorophenyl)-2'-(2,2-dimethylpropyl)-5-fluoro-5'-(hydroxymethyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one.
What is the SMILES notation for (2'R,3S,4'R,5'R)-6-chloro-4'-(3-chlorophenyl)-2'-(2,2-dimethylpropyl)-5-fluoro-5'-(hydroxymethyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?
The canonical SMILES for (2'R,3S,4'R,5'R)-6-chloro-4'-(3-chlorophenyl)-2'-(2,2-dimethylpropyl)-5-fluoro-5'-(hydroxymethyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one is CC(C)(C)C[C@H]1N[C@@H](CO)[C@H](c2cccc(Cl)c2)[C@@]12C(=O)Nc1cc(Cl)c(F)cc12.
What is the InChIKey of (2'R,3S,4'R,5'R)-6-chloro-4'-(3-chlorophenyl)-2'-(2,2-dimethylpropyl)-5-fluoro-5'-(hydroxymethyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?
The InChIKey is XCRMMSPQWBXLBL-SRYPRDQNSA-N. The full InChI is InChI=1S/C23H25Cl2FN2O2/c1-22(2,3)10-19-23(14-8-16(26)15(25)9-17(14)28-21(23)30)20(18(11-29)27-19)12-5-4-6-13(24)7-12/h4-9,18-20,27,29H,10-11H2,1-3H3,(H,28,30)/t18-,19+,20-,23-/m0/s1.
What are the key properties of (2'R,3S,4'R,5'R)-6-chloro-4'-(3-chlorophenyl)-2'-(2,2-dimethylpropyl)-5-fluoro-5'-(hydroxymethyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?
(2'R,3S,4'R,5'R)-6-chloro-4'-(3-chlorophenyl)-2'-(2,2-dimethylpropyl)-5-fluoro-5'-(hydroxymethyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one has a molecular weight of 451.37 g/mol, XLogP of 4.88, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2'R,3S,4'R,5'R)-6-chloro-4'-(3-chlorophenyl)-2'-(2,2-dimethylpropyl)-5-fluoro-5'-(hydroxymethyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one is sourced from PubChem (CID 58254206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).