1-[2-(4-fluorophenyl)ethyl]-5-[2-(2-methoxyethylamino)ethyl]pyrrolidin-2-one

C17H25FN2O2 — CID 45191997

IUPAC1-[2-(4-fluorophenyl)ethyl]-5-[2-(2-methoxyethylamino)ethyl]pyrrolidin-2-one
SMILESCOCCNCCC1CCC(=O)N1CCc1ccc(F)cc1
InChIInChI=1S/C17H25FN2O2/c1-22-13-11-19-10-8-16-6-7-17(21)20(16)12-9-14-2-4-15(18)5-3-14/h2-5,16,19H,6-13H2,1H3
InChIKeyRCVSDHYYRILEOM-UHFFFAOYSA-N
MW308.40 g/mol
LogP1.99
Rot. Bonds9

About 1-[2-(4-fluorophenyl)ethyl]-5-[2-(2-methoxyethylamino)ethyl]pyrrolidin-2-one

1-[2-(4-fluorophenyl)ethyl]-5-[2-(2-methoxyethylamino)ethyl]pyrrolidin-2-one (PubChem CID 45191997) has the molecular formula C17H25FN2O2 and a molecular weight of 308.40 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)ethyl]-5-[2-(2-methoxyethylamino)ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)ethyl]-5-[2-(2-methoxyethylamino)ethyl]pyrrolidin-2-one
PubChem CID45191997
Molecular FormulaC17H25FN2O2
Molecular Weight308.40 g/mol
Exact Mass308.19
IUPAC Name1-[2-(4-fluorophenyl)ethyl]-5-[2-(2-methoxyethylamino)ethyl]pyrrolidin-2-one
SMILESCOCCNCCC1CCC(=O)N1CCc1ccc(F)cc1
InChIInChI=1S/C17H25FN2O2/c1-22-13-11-19-10-8-16-6-7-17(21)20(16)12-9-14-2-4-15(18)5-3-14/h2-5,16,19H,6-13H2,1H3
InChIKeyRCVSDHYYRILEOM-UHFFFAOYSA-N
XLogP1.99
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)ethyl]-5-[2-(2-methoxyethylamino)ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-(4-fluorophenyl)ethyl]-5-[2-(2-methoxyethylamino)ethyl]pyrrolidin-2-one (CID 45191997) is 1-[2-(4-fluorophenyl)ethyl]-5-[2-(2-methoxyethylamino)ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-(4-fluorophenyl)ethyl]-5-[2-(2-methoxyethylamino)ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-(4-fluorophenyl)ethyl]-5-[2-(2-methoxyethylamino)ethyl]pyrrolidin-2-one is COCCNCCC1CCC(=O)N1CCc1ccc(F)cc1.
What is the InChIKey of 1-[2-(4-fluorophenyl)ethyl]-5-[2-(2-methoxyethylamino)ethyl]pyrrolidin-2-one?
The InChIKey is RCVSDHYYRILEOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O2/c1-22-13-11-19-10-8-16-6-7-17(21)20(16)12-9-14-2-4-15(18)5-3-14/h2-5,16,19H,6-13H2,1H3.
What are the key properties of 1-[2-(4-fluorophenyl)ethyl]-5-[2-(2-methoxyethylamino)ethyl]pyrrolidin-2-one?
1-[2-(4-fluorophenyl)ethyl]-5-[2-(2-methoxyethylamino)ethyl]pyrrolidin-2-one has a molecular weight of 308.40 g/mol, XLogP of 1.99, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)ethyl]-5-[2-(2-methoxyethylamino)ethyl]pyrrolidin-2-one is sourced from PubChem (CID 45191997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).