1'-(3-fluoro-4-methylbenzoyl)-5-methoxyspiro[1H-indole-3,3'-pyrrolidine]-2-one

C20H19FN2O3 — CID 53177056

IUPAC1'-(3-fluoro-4-methylbenzoyl)-5-methoxyspiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESCOc1ccc2c(c1)C1(CCN(C(=O)c3ccc(C)c(F)c3)C1)C(=O)N2
InChIInChI=1S/C20H19FN2O3/c1-12-3-4-13(9-16(12)21)18(24)23-8-7-20(11-23)15-10-14(26-2)5-6-17(15)22-19(20)25/h3-6,9-10H,7-8,11H2,1-2H3,(H,22,25)
InChIKeyZORHCOVSEAAYAN-UHFFFAOYSA-N
MW354.38 g/mol
LogP2.88
Rot. Bonds2

About 1'-(3-fluoro-4-methylbenzoyl)-5-methoxyspiro[1H-indole-3,3'-pyrrolidine]-2-one

1'-(3-fluoro-4-methylbenzoyl)-5-methoxyspiro[1H-indole-3,3'-pyrrolidine]-2-one (PubChem CID 53177056) has the molecular formula C20H19FN2O3 and a molecular weight of 354.38 g/mol. Its IUPAC name is 1'-(3-fluoro-4-methylbenzoyl)-5-methoxyspiro[1H-indole-3,3'-pyrrolidine]-2-one.

Molecular Properties

Compound Name1'-(3-fluoro-4-methylbenzoyl)-5-methoxyspiro[1H-indole-3,3'-pyrrolidine]-2-one
PubChem CID53177056
Molecular FormulaC20H19FN2O3
Molecular Weight354.38 g/mol
Exact Mass354.14
IUPAC Name1'-(3-fluoro-4-methylbenzoyl)-5-methoxyspiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESCOc1ccc2c(c1)C1(CCN(C(=O)c3ccc(C)c(F)c3)C1)C(=O)N2
InChIInChI=1S/C20H19FN2O3/c1-12-3-4-13(9-16(12)21)18(24)23-8-7-20(11-23)15-10-14(26-2)5-6-17(15)22-19(20)25/h3-6,9-10H,7-8,11H2,1-2H3,(H,22,25)
InChIKeyZORHCOVSEAAYAN-UHFFFAOYSA-N
XLogP2.88
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.38
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1'-(3-fluoro-4-methylbenzoyl)-5-methoxyspiro[1H-indole-3,3'-pyrrolidine]-2-one?
The IUPAC name of 1'-(3-fluoro-4-methylbenzoyl)-5-methoxyspiro[1H-indole-3,3'-pyrrolidine]-2-one (CID 53177056) is 1'-(3-fluoro-4-methylbenzoyl)-5-methoxyspiro[1H-indole-3,3'-pyrrolidine]-2-one.
What is the SMILES notation for 1'-(3-fluoro-4-methylbenzoyl)-5-methoxyspiro[1H-indole-3,3'-pyrrolidine]-2-one?
The canonical SMILES for 1'-(3-fluoro-4-methylbenzoyl)-5-methoxyspiro[1H-indole-3,3'-pyrrolidine]-2-one is COc1ccc2c(c1)C1(CCN(C(=O)c3ccc(C)c(F)c3)C1)C(=O)N2.
What is the InChIKey of 1'-(3-fluoro-4-methylbenzoyl)-5-methoxyspiro[1H-indole-3,3'-pyrrolidine]-2-one?
The InChIKey is ZORHCOVSEAAYAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O3/c1-12-3-4-13(9-16(12)21)18(24)23-8-7-20(11-23)15-10-14(26-2)5-6-17(15)22-19(20)25/h3-6,9-10H,7-8,11H2,1-2H3,(H,22,25).
What are the key properties of 1'-(3-fluoro-4-methylbenzoyl)-5-methoxyspiro[1H-indole-3,3'-pyrrolidine]-2-one?
1'-(3-fluoro-4-methylbenzoyl)-5-methoxyspiro[1H-indole-3,3'-pyrrolidine]-2-one has a molecular weight of 354.38 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(3-fluoro-4-methylbenzoyl)-5-methoxyspiro[1H-indole-3,3'-pyrrolidine]-2-one is sourced from PubChem (CID 53177056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).