4'-(4-bromophenyl)-3'-(4-fluorobenzoyl)spiro[1H-indole-3,2'-pyrrolidine]-2-one

C24H18BrFN2O2 — CID 171343417

IUPAC4'-(4-bromophenyl)-3'-(4-fluorobenzoyl)spiro[1H-indole-3,2'-pyrrolidine]-2-one
SMILESO=C(c1ccc(F)cc1)C1C(c2ccc(Br)cc2)CNC12C(=O)Nc1ccccc12
InChIInChI=1S/C24H18BrFN2O2/c25-16-9-5-14(6-10-16)18-13-27-24(19-3-1-2-4-20(19)28-23(24)30)21(18)22(29)15-7-11-17(26)12-8-15/h1-12,18,21,27H,13H2,(H,28,30)
InChIKeyNXPLBPAMWXMSJJ-UHFFFAOYSA-N
MW465.32 g/mol
LogP4.62
Rot. Bonds3

About 4'-(4-bromophenyl)-3'-(4-fluorobenzoyl)spiro[1H-indole-3,2'-pyrrolidine]-2-one

4'-(4-bromophenyl)-3'-(4-fluorobenzoyl)spiro[1H-indole-3,2'-pyrrolidine]-2-one (PubChem CID 171343417) has the molecular formula C24H18BrFN2O2 and a molecular weight of 465.32 g/mol. Its IUPAC name is 4'-(4-bromophenyl)-3'-(4-fluorobenzoyl)spiro[1H-indole-3,2'-pyrrolidine]-2-one.

Molecular Properties

Compound Name4'-(4-bromophenyl)-3'-(4-fluorobenzoyl)spiro[1H-indole-3,2'-pyrrolidine]-2-one
PubChem CID171343417
Molecular FormulaC24H18BrFN2O2
Molecular Weight465.32 g/mol
Exact Mass464.05
IUPAC Name4'-(4-bromophenyl)-3'-(4-fluorobenzoyl)spiro[1H-indole-3,2'-pyrrolidine]-2-one
SMILESO=C(c1ccc(F)cc1)C1C(c2ccc(Br)cc2)CNC12C(=O)Nc1ccccc12
InChIInChI=1S/C24H18BrFN2O2/c25-16-9-5-14(6-10-16)18-13-27-24(19-3-1-2-4-20(19)28-23(24)30)21(18)22(29)15-7-11-17(26)12-8-15/h1-12,18,21,27H,13H2,(H,28,30)
InChIKeyNXPLBPAMWXMSJJ-UHFFFAOYSA-N
XLogP4.62
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.32
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4'-(4-bromophenyl)-3'-(4-fluorobenzoyl)spiro[1H-indole-3,2'-pyrrolidine]-2-one?
The IUPAC name of 4'-(4-bromophenyl)-3'-(4-fluorobenzoyl)spiro[1H-indole-3,2'-pyrrolidine]-2-one (CID 171343417) is 4'-(4-bromophenyl)-3'-(4-fluorobenzoyl)spiro[1H-indole-3,2'-pyrrolidine]-2-one.
What is the SMILES notation for 4'-(4-bromophenyl)-3'-(4-fluorobenzoyl)spiro[1H-indole-3,2'-pyrrolidine]-2-one?
The canonical SMILES for 4'-(4-bromophenyl)-3'-(4-fluorobenzoyl)spiro[1H-indole-3,2'-pyrrolidine]-2-one is O=C(c1ccc(F)cc1)C1C(c2ccc(Br)cc2)CNC12C(=O)Nc1ccccc12.
What is the InChIKey of 4'-(4-bromophenyl)-3'-(4-fluorobenzoyl)spiro[1H-indole-3,2'-pyrrolidine]-2-one?
The InChIKey is NXPLBPAMWXMSJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18BrFN2O2/c25-16-9-5-14(6-10-16)18-13-27-24(19-3-1-2-4-20(19)28-23(24)30)21(18)22(29)15-7-11-17(26)12-8-15/h1-12,18,21,27H,13H2,(H,28,30).
What are the key properties of 4'-(4-bromophenyl)-3'-(4-fluorobenzoyl)spiro[1H-indole-3,2'-pyrrolidine]-2-one?
4'-(4-bromophenyl)-3'-(4-fluorobenzoyl)spiro[1H-indole-3,2'-pyrrolidine]-2-one has a molecular weight of 465.32 g/mol, XLogP of 4.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4'-(4-bromophenyl)-3'-(4-fluorobenzoyl)spiro[1H-indole-3,2'-pyrrolidine]-2-one is sourced from PubChem (CID 171343417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).