1'-(2-fluorobenzoyl)-5-methoxy-1-methylspiro[indole-3,3'-pyrrolidine]-2-one

C20H19FN2O3 — CID 53177237

IUPAC1'-(2-fluorobenzoyl)-5-methoxy-1-methylspiro[indole-3,3'-pyrrolidine]-2-one
SMILESCOc1ccc2c(c1)C1(CCN(C(=O)c3ccccc3F)C1)C(=O)N2C
InChIInChI=1S/C20H19FN2O3/c1-22-17-8-7-13(26-2)11-15(17)20(19(22)25)9-10-23(12-20)18(24)14-5-3-4-6-16(14)21/h3-8,11H,9-10,12H2,1-2H3
InChIKeyLNKUADDMFOAIJV-UHFFFAOYSA-N
MW354.38 g/mol
LogP2.59
Rot. Bonds2

About 1'-(2-fluorobenzoyl)-5-methoxy-1-methylspiro[indole-3,3'-pyrrolidine]-2-one

1'-(2-fluorobenzoyl)-5-methoxy-1-methylspiro[indole-3,3'-pyrrolidine]-2-one (PubChem CID 53177237) has the molecular formula C20H19FN2O3 and a molecular weight of 354.38 g/mol. Its IUPAC name is 1'-(2-fluorobenzoyl)-5-methoxy-1-methylspiro[indole-3,3'-pyrrolidine]-2-one.

Molecular Properties

Compound Name1'-(2-fluorobenzoyl)-5-methoxy-1-methylspiro[indole-3,3'-pyrrolidine]-2-one
PubChem CID53177237
Molecular FormulaC20H19FN2O3
Molecular Weight354.38 g/mol
Exact Mass354.14
IUPAC Name1'-(2-fluorobenzoyl)-5-methoxy-1-methylspiro[indole-3,3'-pyrrolidine]-2-one
SMILESCOc1ccc2c(c1)C1(CCN(C(=O)c3ccccc3F)C1)C(=O)N2C
InChIInChI=1S/C20H19FN2O3/c1-22-17-8-7-13(26-2)11-15(17)20(19(22)25)9-10-23(12-20)18(24)14-5-3-4-6-16(14)21/h3-8,11H,9-10,12H2,1-2H3
InChIKeyLNKUADDMFOAIJV-UHFFFAOYSA-N
XLogP2.59
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.38
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1'-(2-fluorobenzoyl)-5-methoxy-1-methylspiro[indole-3,3'-pyrrolidine]-2-one?
The IUPAC name of 1'-(2-fluorobenzoyl)-5-methoxy-1-methylspiro[indole-3,3'-pyrrolidine]-2-one (CID 53177237) is 1'-(2-fluorobenzoyl)-5-methoxy-1-methylspiro[indole-3,3'-pyrrolidine]-2-one.
What is the SMILES notation for 1'-(2-fluorobenzoyl)-5-methoxy-1-methylspiro[indole-3,3'-pyrrolidine]-2-one?
The canonical SMILES for 1'-(2-fluorobenzoyl)-5-methoxy-1-methylspiro[indole-3,3'-pyrrolidine]-2-one is COc1ccc2c(c1)C1(CCN(C(=O)c3ccccc3F)C1)C(=O)N2C.
What is the InChIKey of 1'-(2-fluorobenzoyl)-5-methoxy-1-methylspiro[indole-3,3'-pyrrolidine]-2-one?
The InChIKey is LNKUADDMFOAIJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O3/c1-22-17-8-7-13(26-2)11-15(17)20(19(22)25)9-10-23(12-20)18(24)14-5-3-4-6-16(14)21/h3-8,11H,9-10,12H2,1-2H3.
What are the key properties of 1'-(2-fluorobenzoyl)-5-methoxy-1-methylspiro[indole-3,3'-pyrrolidine]-2-one?
1'-(2-fluorobenzoyl)-5-methoxy-1-methylspiro[indole-3,3'-pyrrolidine]-2-one has a molecular weight of 354.38 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(2-fluorobenzoyl)-5-methoxy-1-methylspiro[indole-3,3'-pyrrolidine]-2-one is sourced from PubChem (CID 53177237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).