N-butyl-2-[(4S)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-ethylacetamide

C18H23Cl2N3O3 — CID 8570908

IUPACN-butyl-2-[(4S)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-ethylacetamide
SMILESCCCCN(CC)C(=O)CN1C(=O)N[C@@](C)(c2ccc(Cl)cc2Cl)C1=O
InChIInChI=1S/C18H23Cl2N3O3/c1-4-6-9-22(5-2)15(24)11-23-16(25)18(3,21-17(23)26)13-8-7-12(19)10-14(13)20/h7-8,10H,4-6,9,11H2,1-3H3,(H,21,26)/t18-/m0/s1
InChIKeyIZQSCCFXIQVFBK-SFHVURJKSA-N
MW400.31 g/mol
LogP3.41
Rot. Bonds7

About N-butyl-2-[(4S)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-ethylacetamide

N-butyl-2-[(4S)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-ethylacetamide (PubChem CID 8570908) has the molecular formula C18H23Cl2N3O3 and a molecular weight of 400.31 g/mol. Its IUPAC name is N-butyl-2-[(4S)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-ethylacetamide.

Molecular Properties

Compound NameN-butyl-2-[(4S)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-ethylacetamide
PubChem CID8570908
Molecular FormulaC18H23Cl2N3O3
Molecular Weight400.31 g/mol
Exact Mass399.11
IUPAC NameN-butyl-2-[(4S)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-ethylacetamide
SMILESCCCCN(CC)C(=O)CN1C(=O)N[C@@](C)(c2ccc(Cl)cc2Cl)C1=O
InChIInChI=1S/C18H23Cl2N3O3/c1-4-6-9-22(5-2)15(24)11-23-16(25)18(3,21-17(23)26)13-8-7-12(19)10-14(13)20/h7-8,10H,4-6,9,11H2,1-3H3,(H,21,26)/t18-/m0/s1
InChIKeyIZQSCCFXIQVFBK-SFHVURJKSA-N
XLogP3.41
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.31
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-ethyl-N-(2-methylprop-2-enyl)acetamide
CID 18097560
2-[(4R)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N,N-di(propan-2-yl)acetamide
CID 2704475
2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide
CID 4532304
ethyl N-[2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]carbamate
CID 5138739
2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-pentan-2-ylacetamide
CID 4804687
N-benzyl-2-[(4R)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide
CID 2703019
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-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 18201432
N-(2-chlorophenyl)-2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 4966212
2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide
CID 42982801
3-[2-(azepan-1-yl)-2-oxoethyl]-5-(2,4-dichlorophenyl)-5-methylimidazolidine-2,4-dione
CID 4804699
(5S)-3-[2-(azepan-1-yl)-2-oxoethyl]-5-(2,4-dichlorophenyl)-5-methylimidazolidine-2,4-dione
CID 2703018

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[(4S)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-ethylacetamide?
The IUPAC name of N-butyl-2-[(4S)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-ethylacetamide (CID 8570908) is N-butyl-2-[(4S)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-ethylacetamide.
What is the SMILES notation for N-butyl-2-[(4S)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-ethylacetamide?
The canonical SMILES for N-butyl-2-[(4S)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-ethylacetamide is CCCCN(CC)C(=O)CN1C(=O)N[C@@](C)(c2ccc(Cl)cc2Cl)C1=O.
What is the InChIKey of N-butyl-2-[(4S)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-ethylacetamide?
The InChIKey is IZQSCCFXIQVFBK-SFHVURJKSA-N. The full InChI is InChI=1S/C18H23Cl2N3O3/c1-4-6-9-22(5-2)15(24)11-23-16(25)18(3,21-17(23)26)13-8-7-12(19)10-14(13)20/h7-8,10H,4-6,9,11H2,1-3H3,(H,21,26)/t18-/m0/s1.
What are the key properties of N-butyl-2-[(4S)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-ethylacetamide?
N-butyl-2-[(4S)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-ethylacetamide has a molecular weight of 400.31 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[(4S)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-ethylacetamide is sourced from PubChem (CID 8570908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).