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

C16H22FN3O3 — CID 15994803

IUPAC2-[3-[(2-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CN1CCN(Cc2ccccc2F)C1=O
InChIInChI=1S/C16H22FN3O3/c1-23-10-4-7-18-15(21)12-20-9-8-19(16(20)22)11-13-5-2-3-6-14(13)17/h2-3,5-6H,4,7-12H2,1H3,(H,18,21)
InChIKeyZJEZDOWNJZTFBW-UHFFFAOYSA-N
MW323.37 g/mol
LogP1.22
Rot. Bonds8

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

2-[3-[(2-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(3-methoxypropyl)acetamide (PubChem CID 15994803) has the molecular formula C16H22FN3O3 and a molecular weight of 323.37 g/mol. Its IUPAC name is 2-[3-[(2-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(3-methoxypropyl)acetamide.

Molecular Properties

Compound Name2-[3-[(2-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(3-methoxypropyl)acetamide
PubChem CID15994803
Molecular FormulaC16H22FN3O3
Molecular Weight323.37 g/mol
Exact Mass323.16
IUPAC Name2-[3-[(2-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CN1CCN(Cc2ccccc2F)C1=O
InChIInChI=1S/C16H22FN3O3/c1-23-10-4-7-18-15(21)12-20-9-8-19(16(20)22)11-13-5-2-3-6-14(13)17/h2-3,5-6H,4,7-12H2,1H3,(H,18,21)
InChIKeyZJEZDOWNJZTFBW-UHFFFAOYSA-N
XLogP1.22
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 51.22
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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Related Compounds

2,4-Imidazolidinedione, 3-(phenylmethyl)-
CID 231959
1-Benzylimidazolidine-2,4,5-trione
CID 562619
2,4-Imidazolidinedione, 5-ethoxy-1-(phenylmethyl)-
CID 4079622
Acetamide, N-benzyl-2-(1-pyrrolidinyl)-, hydrochloride
CID 2959243
N-[1-benzyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]pentanamide
CID 4264496
1-[(2-Fluorophenyl)methyl]imidazolidine-2,4,5-trione
CID 2767579
3-(4-Fluorobenzyl)-2-thioxoimidazolidin-4-one
CID 7422647
3-Benzyl-2,5-dioxo-4,4-dimethylimidazolidine
CID 4601988
Simufilam
CID 46195331
1-Pyrrolidineacetamide, N-(phenylmethyl)-
CID 2214094
1-Benzylimidazolidine-2,4-dione
CID 2735485
1-[1-[Oxo(1-pyrrolidinyl)methyl]cyclohexyl]-3-(phenylmethyl)urea
CID 647179

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(3-methoxypropyl)acetamide?
The IUPAC name of 2-[3-[(2-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(3-methoxypropyl)acetamide (CID 15994803) is 2-[3-[(2-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(3-methoxypropyl)acetamide.
What is the SMILES notation for 2-[3-[(2-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(3-methoxypropyl)acetamide?
The canonical SMILES for 2-[3-[(2-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(3-methoxypropyl)acetamide is COCCCNC(=O)CN1CCN(Cc2ccccc2F)C1=O.
What is the InChIKey of 2-[3-[(2-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(3-methoxypropyl)acetamide?
The InChIKey is ZJEZDOWNJZTFBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3O3/c1-23-10-4-7-18-15(21)12-20-9-8-19(16(20)22)11-13-5-2-3-6-14(13)17/h2-3,5-6H,4,7-12H2,1H3,(H,18,21).
What are the key properties of 2-[3-[(2-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(3-methoxypropyl)acetamide?
2-[3-[(2-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(3-methoxypropyl)acetamide has a molecular weight of 323.37 g/mol, XLogP of 1.22, 8 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-(3-methoxypropyl)acetamide is sourced from PubChem (CID 15994803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).