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

C16H20FN3O3 — CID 72975011

IUPAC2-(3-acetamido-2-oxopyrrolidin-1-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide
SMILESCC(=O)NC1CCN(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)
InChIKeyGMKUFHRUBHQKCN-UHFFFAOYSA-N
MW321.35 g/mol
LogP0.22
Rot. Bonds6

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

2-(3-acetamido-2-oxopyrrolidin-1-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide (PubChem CID 72975011) has the molecular formula C16H20FN3O3 and a molecular weight of 321.35 g/mol. Its IUPAC name is 2-(3-acetamido-2-oxopyrrolidin-1-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(3-acetamido-2-oxopyrrolidin-1-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide
PubChem CID72975011
Molecular FormulaC16H20FN3O3
Molecular Weight321.35 g/mol
Exact Mass321.15
IUPAC Name2-(3-acetamido-2-oxopyrrolidin-1-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide
SMILESCC(=O)NC1CCN(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)
InChIKeyGMKUFHRUBHQKCN-UHFFFAOYSA-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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-acetamido-2-oxopyrrolidin-1-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide?
The IUPAC name of 2-(3-acetamido-2-oxopyrrolidin-1-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide (CID 72975011) is 2-(3-acetamido-2-oxopyrrolidin-1-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-(3-acetamido-2-oxopyrrolidin-1-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide?
The canonical SMILES for 2-(3-acetamido-2-oxopyrrolidin-1-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide is CC(=O)NC1CCN(CC(=O)NCCc2ccc(F)cc2)C1=O.
What is the InChIKey of 2-(3-acetamido-2-oxopyrrolidin-1-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide?
The InChIKey is GMKUFHRUBHQKCN-UHFFFAOYSA-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).
What are the key properties of 2-(3-acetamido-2-oxopyrrolidin-1-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide?
2-(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-(3-acetamido-2-oxopyrrolidin-1-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide is sourced from PubChem (CID 72975011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).