2-[3-[(2-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(2-methoxyethyl)acetamide

C15H20FN3O3 — CID 122174916

IUPAC2-[3-[(2-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CN1CCN(Cc2ccccc2F)C1=O
InChIInChI=1S/C15H20FN3O3/c1-22-9-6-17-14(20)11-19-8-7-18(15(19)21)10-12-4-2-3-5-13(12)16/h2-5H,6-11H2,1H3,(H,17,20)
InChIKeyZSPVKAAJXBNPBQ-UHFFFAOYSA-N
MW309.34 g/mol
LogP0.83
Rot. Bonds7

About 2-[3-[(2-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(2-methoxyethyl)acetamide

2-[3-[(2-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(2-methoxyethyl)acetamide (PubChem CID 122174916) has the molecular formula C15H20FN3O3 and a molecular weight of 309.34 g/mol. Its IUPAC name is 2-[3-[(2-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[3-[(2-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(2-methoxyethyl)acetamide
PubChem CID122174916
Molecular FormulaC15H20FN3O3
Molecular Weight309.34 g/mol
Exact Mass309.15
IUPAC Name2-[3-[(2-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CN1CCN(Cc2ccccc2F)C1=O
InChIInChI=1S/C15H20FN3O3/c1-22-9-6-17-14(20)11-19-8-7-18(15(19)21)10-12-4-2-3-5-13(12)16/h2-5H,6-11H2,1H3,(H,17,20)
InChIKeyZSPVKAAJXBNPBQ-UHFFFAOYSA-N
XLogP0.83
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 50.83
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 2-[3-[(2-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[3-[(2-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(2-methoxyethyl)acetamide (CID 122174916) is 2-[3-[(2-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[3-[(2-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[3-[(2-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(2-methoxyethyl)acetamide is COCCNC(=O)CN1CCN(Cc2ccccc2F)C1=O.
What is the InChIKey of 2-[3-[(2-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(2-methoxyethyl)acetamide?
The InChIKey is ZSPVKAAJXBNPBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O3/c1-22-9-6-17-14(20)11-19-8-7-18(15(19)21)10-12-4-2-3-5-13(12)16/h2-5H,6-11H2,1H3,(H,17,20).
What are the key properties of 2-[3-[(2-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(2-methoxyethyl)acetamide?
2-[3-[(2-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(2-methoxyethyl)acetamide has a molecular weight of 309.34 g/mol, XLogP of 0.83, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 122174916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).