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

C23H18F2N2O3 — CID 98776327

IUPAC(3R,3'R,4'S)-5-fluoro-4'-(4-fluorophenyl)-3'-(furan-2-carbonyl)-1'-methylspiro[1H-indole-3,2'-pyrrolidine]-2-one
SMILESCN1C[C@H](c2ccc(F)cc2)[C@@H](C(=O)c2ccco2)[C@@]12C(=O)Nc1ccc(F)cc12
InChIInChI=1S/C23H18F2N2O3/c1-27-12-16(13-4-6-14(24)7-5-13)20(21(28)19-3-2-10-30-19)23(27)17-11-15(25)8-9-18(17)26-22(23)29/h2-11,16,20H,12H2,1H3,(H,26,29)/t16-,20+,23+/m1/s1
InChIKeyXEMOMQIDRGXFGY-CGYQNGNCSA-N
MW408.40 g/mol
LogP3.93
Rot. Bonds3

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

(3R,3'R,4'S)-5-fluoro-4'-(4-fluorophenyl)-3'-(furan-2-carbonyl)-1'-methylspiro[1H-indole-3,2'-pyrrolidine]-2-one (PubChem CID 98776327) has the molecular formula C23H18F2N2O3 and a molecular weight of 408.40 g/mol. Its IUPAC name is (3R,3'R,4'S)-5-fluoro-4'-(4-fluorophenyl)-3'-(furan-2-carbonyl)-1'-methylspiro[1H-indole-3,2'-pyrrolidine]-2-one.

Molecular Properties

Compound Name(3R,3'R,4'S)-5-fluoro-4'-(4-fluorophenyl)-3'-(furan-2-carbonyl)-1'-methylspiro[1H-indole-3,2'-pyrrolidine]-2-one
PubChem CID98776327
Molecular FormulaC23H18F2N2O3
Molecular Weight408.40 g/mol
Exact Mass408.13
IUPAC Name(3R,3'R,4'S)-5-fluoro-4'-(4-fluorophenyl)-3'-(furan-2-carbonyl)-1'-methylspiro[1H-indole-3,2'-pyrrolidine]-2-one
SMILESCN1C[C@H](c2ccc(F)cc2)[C@@H](C(=O)c2ccco2)[C@@]12C(=O)Nc1ccc(F)cc12
InChIInChI=1S/C23H18F2N2O3/c1-27-12-16(13-4-6-14(24)7-5-13)20(21(28)19-3-2-10-30-19)23(27)17-11-15(25)8-9-18(17)26-22(23)29/h2-11,16,20H,12H2,1H3,(H,26,29)/t16-,20+,23+/m1/s1
InChIKeyXEMOMQIDRGXFGY-CGYQNGNCSA-N
XLogP3.93
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.40
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R,3'R,4'S)-5-fluoro-4'-(4-fluorophenyl)-3'-(furan-2-carbonyl)-1'-methylspiro[1H-indole-3,2'-pyrrolidine]-2-one?
The IUPAC name of (3R,3'R,4'S)-5-fluoro-4'-(4-fluorophenyl)-3'-(furan-2-carbonyl)-1'-methylspiro[1H-indole-3,2'-pyrrolidine]-2-one (CID 98776327) is (3R,3'R,4'S)-5-fluoro-4'-(4-fluorophenyl)-3'-(furan-2-carbonyl)-1'-methylspiro[1H-indole-3,2'-pyrrolidine]-2-one.
What is the SMILES notation for (3R,3'R,4'S)-5-fluoro-4'-(4-fluorophenyl)-3'-(furan-2-carbonyl)-1'-methylspiro[1H-indole-3,2'-pyrrolidine]-2-one?
The canonical SMILES for (3R,3'R,4'S)-5-fluoro-4'-(4-fluorophenyl)-3'-(furan-2-carbonyl)-1'-methylspiro[1H-indole-3,2'-pyrrolidine]-2-one is CN1C[C@H](c2ccc(F)cc2)[C@@H](C(=O)c2ccco2)[C@@]12C(=O)Nc1ccc(F)cc12.
What is the InChIKey of (3R,3'R,4'S)-5-fluoro-4'-(4-fluorophenyl)-3'-(furan-2-carbonyl)-1'-methylspiro[1H-indole-3,2'-pyrrolidine]-2-one?
The InChIKey is XEMOMQIDRGXFGY-CGYQNGNCSA-N. The full InChI is InChI=1S/C23H18F2N2O3/c1-27-12-16(13-4-6-14(24)7-5-13)20(21(28)19-3-2-10-30-19)23(27)17-11-15(25)8-9-18(17)26-22(23)29/h2-11,16,20H,12H2,1H3,(H,26,29)/t16-,20+,23+/m1/s1.
What are the key properties of (3R,3'R,4'S)-5-fluoro-4'-(4-fluorophenyl)-3'-(furan-2-carbonyl)-1'-methylspiro[1H-indole-3,2'-pyrrolidine]-2-one?
(3R,3'R,4'S)-5-fluoro-4'-(4-fluorophenyl)-3'-(furan-2-carbonyl)-1'-methylspiro[1H-indole-3,2'-pyrrolidine]-2-one has a molecular weight of 408.40 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,3'R,4'S)-5-fluoro-4'-(4-fluorophenyl)-3'-(furan-2-carbonyl)-1'-methylspiro[1H-indole-3,2'-pyrrolidine]-2-one is sourced from PubChem (CID 98776327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).