N-[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-3-methoxypropanamide

C16H21FN2O3 — CID 45226114

IUPACN-[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-3-methoxypropanamide
SMILESCOCCC(=O)NC1CC(=O)N(CCc2ccc(F)cc2)C1
InChIInChI=1S/C16H21FN2O3/c1-22-9-7-15(20)18-14-10-16(21)19(11-14)8-6-12-2-4-13(17)5-3-12/h2-5,14H,6-11H2,1H3,(H,18,20)
InChIKeyWUKKPNRESAAYBH-UHFFFAOYSA-N
MW308.35 g/mol
LogP1.12
Rot. Bonds7

About N-[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-3-methoxypropanamide

N-[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-3-methoxypropanamide (PubChem CID 45226114) has the molecular formula C16H21FN2O3 and a molecular weight of 308.35 g/mol. Its IUPAC name is N-[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-3-methoxypropanamide.

Molecular Properties

Compound NameN-[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-3-methoxypropanamide
PubChem CID45226114
Molecular FormulaC16H21FN2O3
Molecular Weight308.35 g/mol
Exact Mass308.15
IUPAC NameN-[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-3-methoxypropanamide
SMILESCOCCC(=O)NC1CC(=O)N(CCc2ccc(F)cc2)C1
InChIInChI=1S/C16H21FN2O3/c1-22-9-7-15(20)18-14-10-16(21)19(11-14)8-6-12-2-4-13(17)5-3-12/h2-5,14H,6-11H2,1H3,(H,18,20)
InChIKeyWUKKPNRESAAYBH-UHFFFAOYSA-N
XLogP1.12
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.35
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-3-methoxypropanamide?
The IUPAC name of N-[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-3-methoxypropanamide (CID 45226114) is N-[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-3-methoxypropanamide.
What is the SMILES notation for N-[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-3-methoxypropanamide?
The canonical SMILES for N-[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-3-methoxypropanamide is COCCC(=O)NC1CC(=O)N(CCc2ccc(F)cc2)C1.
What is the InChIKey of N-[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-3-methoxypropanamide?
The InChIKey is WUKKPNRESAAYBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O3/c1-22-9-7-15(20)18-14-10-16(21)19(11-14)8-6-12-2-4-13(17)5-3-12/h2-5,14H,6-11H2,1H3,(H,18,20).
What are the key properties of N-[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-3-methoxypropanamide?
N-[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-3-methoxypropanamide has a molecular weight of 308.35 g/mol, XLogP of 1.12, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-3-methoxypropanamide is sourced from PubChem (CID 45226114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).