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

C15H20ClN3O3 — CID 5308939

IUPAC2-[3-[(3-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CN1CCN(Cc2cccc(Cl)c2)C1=O
InChIInChI=1S/C15H20ClN3O3/c1-22-8-5-17-14(20)11-19-7-6-18(15(19)21)10-12-3-2-4-13(16)9-12/h2-4,9H,5-8,10-11H2,1H3,(H,17,20)
InChIKeyAIKFNKNZGVXHLS-UHFFFAOYSA-N
MW325.80 g/mol
LogP1.34
Rot. Bonds7

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

2-[3-[(3-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(2-methoxyethyl)acetamide (PubChem CID 5308939) has the molecular formula C15H20ClN3O3 and a molecular weight of 325.80 g/mol. Its IUPAC name is 2-[3-[(3-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[3-[(3-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(2-methoxyethyl)acetamide
PubChem CID5308939
Molecular FormulaC15H20ClN3O3
Molecular Weight325.80 g/mol
Exact Mass325.12
IUPAC Name2-[3-[(3-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CN1CCN(Cc2cccc(Cl)c2)C1=O
InChIInChI=1S/C15H20ClN3O3/c1-22-8-5-17-14(20)11-19-7-6-18(15(19)21)10-12-3-2-4-13(16)9-12/h2-4,9H,5-8,10-11H2,1H3,(H,17,20)
InChIKeyAIKFNKNZGVXHLS-UHFFFAOYSA-N
XLogP1.34
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.80
LogP ≤ 51.34
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

1-(3-Chlorobenzyl)imidazolidin-2-one
CID 3235606
N-(3-chlorobenzyl)-1-(4-methylpentanoyl)-L-prolinamide
CID 42615253
3-[(3-Chlorophenyl)methyl]-2-sulfanylideneimidazolidin-4-one
CID 2726683
2-[3-(3-Chlorobenzyl)-2,4,5-trioxo-1-imidazolidinyl]acetonitrile
CID 2767592
N-[(4-chlorophenyl)methyl]-2-(2,6-dimethylmorpholin-4-yl)acetamide
CID 6465678
2-[3-(4-chlorobenzyl)-2-oxoimidazolidin-1-yl]-N-(3-isopropoxypropyl)acetamide
CID 20851422
(2S)-N-[(3-chlorophenyl)methyl]-1-ethyl-5-oxopyrrolidine-2-carboxamide
CID 49864949
1-((2R)-2-aminobutanoyl)-N-(3-chlorobenzyl)-L-prolinamide
CID 25113126
D-leucyl-N-(3-chlorobenzyl)-L-prolinamide
CID 25113127
m-Chlorobenzylamide, 1
CID 44237080
2-[3-(2-chlorobenzyl)-2-oxo-1-imidazolidinyl]-N-(3-isopropoxypropyl)acetamide
CID 3239335
2-[3-(2-chlorobenzyl)-2-oxoimidazolidin-1-yl]-N-cycloheptylacetamide
CID 3240085

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(3-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[3-[(3-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(2-methoxyethyl)acetamide (CID 5308939) is 2-[3-[(3-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[3-[(3-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[3-[(3-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(2-methoxyethyl)acetamide is COCCNC(=O)CN1CCN(Cc2cccc(Cl)c2)C1=O.
What is the InChIKey of 2-[3-[(3-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(2-methoxyethyl)acetamide?
The InChIKey is AIKFNKNZGVXHLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O3/c1-22-8-5-17-14(20)11-19-7-6-18(15(19)21)10-12-3-2-4-13(16)9-12/h2-4,9H,5-8,10-11H2,1H3,(H,17,20).
What are the key properties of 2-[3-[(3-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(2-methoxyethyl)acetamide?
2-[3-[(3-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(2-methoxyethyl)acetamide has a molecular weight of 325.80 g/mol, XLogP of 1.34, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(3-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 5308939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).