2-[(3S)-3-acetamido-2-oxopyrrolidin-1-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide

C16H20FN3O3 — CID 11472697

IUPAC2-[(3S)-3-acetamido-2-oxopyrrolidin-1-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide
SMILESCC(=O)N[C@H]1CCN(CC(=O)NCCc2ccc(F)cc2)C1=O
InChIInChI=1S/C16H20FN3O3/c1-11(21)19-14-7-9-20(16(14)23)10-15(22)18-8-6-12-2-4-13(17)5-3-12/h2-5,14H,6-10H2,1H3,(H,18,22)(H,19,21)/t14-/m0/s1
InChIKeyGMKUFHRUBHQKCN-AWEZNQCLSA-N
MW321.35 g/mol
LogP0.22
Rot. Bonds6

About 2-[(3S)-3-acetamido-2-oxopyrrolidin-1-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide

2-[(3S)-3-acetamido-2-oxopyrrolidin-1-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide (PubChem CID 11472697) has the molecular formula C16H20FN3O3 and a molecular weight of 321.35 g/mol. Its IUPAC name is 2-[(3S)-3-acetamido-2-oxopyrrolidin-1-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[(3S)-3-acetamido-2-oxopyrrolidin-1-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide
PubChem CID11472697
Molecular FormulaC16H20FN3O3
Molecular Weight321.35 g/mol
Exact Mass321.15
IUPAC Name2-[(3S)-3-acetamido-2-oxopyrrolidin-1-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide
SMILESCC(=O)N[C@H]1CCN(CC(=O)NCCc2ccc(F)cc2)C1=O
InChIInChI=1S/C16H20FN3O3/c1-11(21)19-14-7-9-20(16(14)23)10-15(22)18-8-6-12-2-4-13(17)5-3-12/h2-5,14H,6-10H2,1H3,(H,18,22)(H,19,21)/t14-/m0/s1
InChIKeyGMKUFHRUBHQKCN-AWEZNQCLSA-N
XLogP0.22
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.35
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(3S)-3-acetamido-2-oxopyrrolidin-1-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-acetamido-2-oxopyrrolidin-1-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide?
The IUPAC name of 2-[(3S)-3-acetamido-2-oxopyrrolidin-1-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide (CID 11472697) is 2-[(3S)-3-acetamido-2-oxopyrrolidin-1-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-[(3S)-3-acetamido-2-oxopyrrolidin-1-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide?
The canonical SMILES for 2-[(3S)-3-acetamido-2-oxopyrrolidin-1-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide is CC(=O)N[C@H]1CCN(CC(=O)NCCc2ccc(F)cc2)C1=O.
What is the InChIKey of 2-[(3S)-3-acetamido-2-oxopyrrolidin-1-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide?
The InChIKey is GMKUFHRUBHQKCN-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H20FN3O3/c1-11(21)19-14-7-9-20(16(14)23)10-15(22)18-8-6-12-2-4-13(17)5-3-12/h2-5,14H,6-10H2,1H3,(H,18,22)(H,19,21)/t14-/m0/s1.
What are the key properties of 2-[(3S)-3-acetamido-2-oxopyrrolidin-1-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide?
2-[(3S)-3-acetamido-2-oxopyrrolidin-1-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide has a molecular weight of 321.35 g/mol, XLogP of 0.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-acetamido-2-oxopyrrolidin-1-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide is sourced from PubChem (CID 11472697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).