2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-pentan-2-ylacetamide

C17H21Cl2N3O3 — CID 4804687

IUPAC2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)CN1C(=O)NC(C)(c2ccc(Cl)cc2Cl)C1=O
InChIInChI=1S/C17H21Cl2N3O3/c1-4-5-10(2)20-14(23)9-22-15(24)17(3,21-16(22)25)12-7-6-11(18)8-13(12)19/h6-8,10H,4-5,9H2,1-3H3,(H,20,23)(H,21,25)
InChIKeyIOGRUFNKTCZIPH-UHFFFAOYSA-N
MW386.28 g/mol
LogP3.07
Rot. Bonds6

About 2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-pentan-2-ylacetamide

2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-pentan-2-ylacetamide (PubChem CID 4804687) has the molecular formula C17H21Cl2N3O3 and a molecular weight of 386.28 g/mol. Its IUPAC name is 2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-pentan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-pentan-2-ylacetamide
PubChem CID4804687
Molecular FormulaC17H21Cl2N3O3
Molecular Weight386.28 g/mol
Exact Mass385.10
IUPAC Name2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)CN1C(=O)NC(C)(c2ccc(Cl)cc2Cl)C1=O
InChIInChI=1S/C17H21Cl2N3O3/c1-4-5-10(2)20-14(23)9-22-15(24)17(3,21-16(22)25)12-7-6-11(18)8-13(12)19/h6-8,10H,4-5,9H2,1-3H3,(H,20,23)(H,21,25)
InChIKeyIOGRUFNKTCZIPH-UHFFFAOYSA-N
XLogP3.07
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.28
LogP ≤ 53.07
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-[(2S)-butan-2-yl]-2-[(4S)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2702977
2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-phenylbutan-2-yl)acetamide
CID 4804703
2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide
CID 4532304
2-[(4S)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(1S)-1-(furan-2-yl)ethyl]acetamide
CID 8570970
N-[(2S)-butan-2-yl]-2-[(4S)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2702159
N-butan-2-yl-2-[4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 4799733
ethyl N-[2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]carbamate
CID 5138739
2-[(4R)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 41088760
2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(2S)-pentan-2-yl]acetamide
CID 2581518
N-[(2R)-butan-2-yl]-2-[(4R)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2705949
N-[(2S)-butan-2-yl]-2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2705946
2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide
CID 42982801

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-pentan-2-ylacetamide?
The IUPAC name of 2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-pentan-2-ylacetamide (CID 4804687) is 2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-pentan-2-ylacetamide.
What is the SMILES notation for 2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-pentan-2-ylacetamide?
The canonical SMILES for 2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-pentan-2-ylacetamide is CCCC(C)NC(=O)CN1C(=O)NC(C)(c2ccc(Cl)cc2Cl)C1=O.
What is the InChIKey of 2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-pentan-2-ylacetamide?
The InChIKey is IOGRUFNKTCZIPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21Cl2N3O3/c1-4-5-10(2)20-14(23)9-22-15(24)17(3,21-16(22)25)12-7-6-11(18)8-13(12)19/h6-8,10H,4-5,9H2,1-3H3,(H,20,23)(H,21,25).
What are the key properties of 2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-pentan-2-ylacetamide?
2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-pentan-2-ylacetamide has a molecular weight of 386.28 g/mol, XLogP of 3.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-pentan-2-ylacetamide is sourced from PubChem (CID 4804687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).