2-[4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide

C16H20ClN3O3 — CID 18165300

IUPAC2-[4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide
SMILESCCCNC(=O)CN1C(=O)NC(CC)(c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C16H20ClN3O3/c1-3-9-18-13(21)10-20-14(22)16(4-2,19-15(20)23)11-5-7-12(17)8-6-11/h5-8H,3-4,9-10H2,1-2H3,(H,18,21)(H,19,23)
InChIKeyLUHXRSCTZYFZEW-UHFFFAOYSA-N
MW337.81 g/mol
LogP2.02
Rot. Bonds6

About 2-[4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide

2-[4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide (PubChem CID 18165300) has the molecular formula C16H20ClN3O3 and a molecular weight of 337.81 g/mol. Its IUPAC name is 2-[4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide.

Molecular Properties

Compound Name2-[4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide
PubChem CID18165300
Molecular FormulaC16H20ClN3O3
Molecular Weight337.81 g/mol
Exact Mass337.12
IUPAC Name2-[4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide
SMILESCCCNC(=O)CN1C(=O)NC(CC)(c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C16H20ClN3O3/c1-3-9-18-13(21)10-20-14(22)16(4-2,19-15(20)23)11-5-7-12(17)8-6-11/h5-8H,3-4,9-10H2,1-2H3,(H,18,21)(H,19,23)
InChIKeyLUHXRSCTZYFZEW-UHFFFAOYSA-N
XLogP2.02
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.81
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

N-(butylcarbamoyl)-2-[4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 55412036
2-[(4R)-4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 2703115
2-[(4S)-4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 2531072
2-[(4S)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 2117097
N-(4-chlorophenyl)-2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 7179775
2-[(4R)-4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-N-cyclooctylacetamide
CID 2584765
2-[4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-N-(3,4-difluorophenyl)acetamide
CID 42964377
2-[4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 18266833
2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-pentylacetamide
CID 40747967
N-[2-(3-chlorophenyl)ethyl]-2-[(4S)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 8571189
(2R)-2-[[2-[(4S)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-N-propylpropanamide
CID 8571229
2-[(4R)-4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 2584670

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide?
The IUPAC name of 2-[4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide (CID 18165300) is 2-[4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide.
What is the SMILES notation for 2-[4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide?
The canonical SMILES for 2-[4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide is CCCNC(=O)CN1C(=O)NC(CC)(c2ccc(Cl)cc2)C1=O.
What is the InChIKey of 2-[4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide?
The InChIKey is LUHXRSCTZYFZEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O3/c1-3-9-18-13(21)10-20-14(22)16(4-2,19-15(20)23)11-5-7-12(17)8-6-11/h5-8H,3-4,9-10H2,1-2H3,(H,18,21)(H,19,23).
What are the key properties of 2-[4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide?
2-[4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide has a molecular weight of 337.81 g/mol, XLogP of 2.02, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide is sourced from PubChem (CID 18165300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).