1'-(4-bromophenyl)-4-fluoro-6-methoxyspiro[1,3-dihydroindole-2,3'-pyrrolidine]-2'-one

C18H16BrFN2O2 — CID 145438960

IUPAC1'-(4-bromophenyl)-4-fluoro-6-methoxyspiro[1,3-dihydroindole-2,3'-pyrrolidine]-2'-one
SMILESCOc1cc(F)c2c(c1)NC1(CCN(c3ccc(Br)cc3)C1=O)C2
InChIInChI=1S/C18H16BrFN2O2/c1-24-13-8-15(20)14-10-18(21-16(14)9-13)6-7-22(17(18)23)12-4-2-11(19)3-5-12/h2-5,8-9,21H,6-7,10H2,1H3
InChIKeyDDSLLYBMNYWBGW-UHFFFAOYSA-N
MW391.24 g/mol
LogP3.74
Rot. Bonds2

About 1'-(4-bromophenyl)-4-fluoro-6-methoxyspiro[1,3-dihydroindole-2,3'-pyrrolidine]-2'-one

1'-(4-bromophenyl)-4-fluoro-6-methoxyspiro[1,3-dihydroindole-2,3'-pyrrolidine]-2'-one (PubChem CID 145438960) has the molecular formula C18H16BrFN2O2 and a molecular weight of 391.24 g/mol. Its IUPAC name is 1'-(4-bromophenyl)-4-fluoro-6-methoxyspiro[1,3-dihydroindole-2,3'-pyrrolidine]-2'-one.

Molecular Properties

Compound Name1'-(4-bromophenyl)-4-fluoro-6-methoxyspiro[1,3-dihydroindole-2,3'-pyrrolidine]-2'-one
PubChem CID145438960
Molecular FormulaC18H16BrFN2O2
Molecular Weight391.24 g/mol
Exact Mass390.04
IUPAC Name1'-(4-bromophenyl)-4-fluoro-6-methoxyspiro[1,3-dihydroindole-2,3'-pyrrolidine]-2'-one
SMILESCOc1cc(F)c2c(c1)NC1(CCN(c3ccc(Br)cc3)C1=O)C2
InChIInChI=1S/C18H16BrFN2O2/c1-24-13-8-15(20)14-10-18(21-16(14)9-13)6-7-22(17(18)23)12-4-2-11(19)3-5-12/h2-5,8-9,21H,6-7,10H2,1H3
InChIKeyDDSLLYBMNYWBGW-UHFFFAOYSA-N
XLogP3.74
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.24
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1'-(4-bromophenyl)-4-fluoro-6-methoxyspiro[1,3-dihydroindole-2,3'-pyrrolidine]-2'-one?
The IUPAC name of 1'-(4-bromophenyl)-4-fluoro-6-methoxyspiro[1,3-dihydroindole-2,3'-pyrrolidine]-2'-one (CID 145438960) is 1'-(4-bromophenyl)-4-fluoro-6-methoxyspiro[1,3-dihydroindole-2,3'-pyrrolidine]-2'-one.
What is the SMILES notation for 1'-(4-bromophenyl)-4-fluoro-6-methoxyspiro[1,3-dihydroindole-2,3'-pyrrolidine]-2'-one?
The canonical SMILES for 1'-(4-bromophenyl)-4-fluoro-6-methoxyspiro[1,3-dihydroindole-2,3'-pyrrolidine]-2'-one is COc1cc(F)c2c(c1)NC1(CCN(c3ccc(Br)cc3)C1=O)C2.
What is the InChIKey of 1'-(4-bromophenyl)-4-fluoro-6-methoxyspiro[1,3-dihydroindole-2,3'-pyrrolidine]-2'-one?
The InChIKey is DDSLLYBMNYWBGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrFN2O2/c1-24-13-8-15(20)14-10-18(21-16(14)9-13)6-7-22(17(18)23)12-4-2-11(19)3-5-12/h2-5,8-9,21H,6-7,10H2,1H3.
What are the key properties of 1'-(4-bromophenyl)-4-fluoro-6-methoxyspiro[1,3-dihydroindole-2,3'-pyrrolidine]-2'-one?
1'-(4-bromophenyl)-4-fluoro-6-methoxyspiro[1,3-dihydroindole-2,3'-pyrrolidine]-2'-one has a molecular weight of 391.24 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(4-bromophenyl)-4-fluoro-6-methoxyspiro[1,3-dihydroindole-2,3'-pyrrolidine]-2'-one is sourced from PubChem (CID 145438960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).