5-chloro-4'-(4-fluorophenyl)-3'-(furan-2-carbonyl)-1'-methylspiro[1H-indole-3,2'-pyrrolidine]-2-one

C23H18ClFN2O3 — CID 46924812

IUPAC5-chloro-4'-(4-fluorophenyl)-3'-(furan-2-carbonyl)-1'-methylspiro[1H-indole-3,2'-pyrrolidine]-2-one
SMILESCN1CC(c2ccc(F)cc2)C(C(=O)c2ccco2)C12C(=O)Nc1ccc(Cl)cc12
InChIInChI=1S/C23H18ClFN2O3/c1-27-12-16(13-4-7-15(25)8-5-13)20(21(28)19-3-2-10-30-19)23(27)17-11-14(24)6-9-18(17)26-22(23)29/h2-11,16,20H,12H2,1H3,(H,26,29)
InChIKeySUZQJKXPPJFXNE-UHFFFAOYSA-N
MW424.86 g/mol
LogP4.45
Rot. Bonds3

About 5-chloro-4'-(4-fluorophenyl)-3'-(furan-2-carbonyl)-1'-methylspiro[1H-indole-3,2'-pyrrolidine]-2-one

5-chloro-4'-(4-fluorophenyl)-3'-(furan-2-carbonyl)-1'-methylspiro[1H-indole-3,2'-pyrrolidine]-2-one (PubChem CID 46924812) has the molecular formula C23H18ClFN2O3 and a molecular weight of 424.86 g/mol. Its IUPAC name is 5-chloro-4'-(4-fluorophenyl)-3'-(furan-2-carbonyl)-1'-methylspiro[1H-indole-3,2'-pyrrolidine]-2-one.

Molecular Properties

Compound Name5-chloro-4'-(4-fluorophenyl)-3'-(furan-2-carbonyl)-1'-methylspiro[1H-indole-3,2'-pyrrolidine]-2-one
PubChem CID46924812
Molecular FormulaC23H18ClFN2O3
Molecular Weight424.86 g/mol
Exact Mass424.10
IUPAC Name5-chloro-4'-(4-fluorophenyl)-3'-(furan-2-carbonyl)-1'-methylspiro[1H-indole-3,2'-pyrrolidine]-2-one
SMILESCN1CC(c2ccc(F)cc2)C(C(=O)c2ccco2)C12C(=O)Nc1ccc(Cl)cc12
InChIInChI=1S/C23H18ClFN2O3/c1-27-12-16(13-4-7-15(25)8-5-13)20(21(28)19-3-2-10-30-19)23(27)17-11-14(24)6-9-18(17)26-22(23)29/h2-11,16,20H,12H2,1H3,(H,26,29)
InChIKeySUZQJKXPPJFXNE-UHFFFAOYSA-N
XLogP4.45
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.86
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4'-(4-fluorophenyl)-3'-(furan-2-carbonyl)-1'-methylspiro[1H-indole-3,2'-pyrrolidine]-2-one?
The IUPAC name of 5-chloro-4'-(4-fluorophenyl)-3'-(furan-2-carbonyl)-1'-methylspiro[1H-indole-3,2'-pyrrolidine]-2-one (CID 46924812) is 5-chloro-4'-(4-fluorophenyl)-3'-(furan-2-carbonyl)-1'-methylspiro[1H-indole-3,2'-pyrrolidine]-2-one.
What is the SMILES notation for 5-chloro-4'-(4-fluorophenyl)-3'-(furan-2-carbonyl)-1'-methylspiro[1H-indole-3,2'-pyrrolidine]-2-one?
The canonical SMILES for 5-chloro-4'-(4-fluorophenyl)-3'-(furan-2-carbonyl)-1'-methylspiro[1H-indole-3,2'-pyrrolidine]-2-one is CN1CC(c2ccc(F)cc2)C(C(=O)c2ccco2)C12C(=O)Nc1ccc(Cl)cc12.
What is the InChIKey of 5-chloro-4'-(4-fluorophenyl)-3'-(furan-2-carbonyl)-1'-methylspiro[1H-indole-3,2'-pyrrolidine]-2-one?
The InChIKey is SUZQJKXPPJFXNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClFN2O3/c1-27-12-16(13-4-7-15(25)8-5-13)20(21(28)19-3-2-10-30-19)23(27)17-11-14(24)6-9-18(17)26-22(23)29/h2-11,16,20H,12H2,1H3,(H,26,29).
What are the key properties of 5-chloro-4'-(4-fluorophenyl)-3'-(furan-2-carbonyl)-1'-methylspiro[1H-indole-3,2'-pyrrolidine]-2-one?
5-chloro-4'-(4-fluorophenyl)-3'-(furan-2-carbonyl)-1'-methylspiro[1H-indole-3,2'-pyrrolidine]-2-one has a molecular weight of 424.86 g/mol, XLogP of 4.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4'-(4-fluorophenyl)-3'-(furan-2-carbonyl)-1'-methylspiro[1H-indole-3,2'-pyrrolidine]-2-one is sourced from PubChem (CID 46924812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).