ethyl N-[2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]carbamate

C15H15Cl2N3O5 — CID 5138739

IUPACethyl N-[2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]carbamate
SMILESCCOC(=O)NC(=O)CN1C(=O)NC(C)(c2ccc(Cl)cc2Cl)C1=O
InChIInChI=1S/C15H15Cl2N3O5/c1-3-25-14(24)18-11(21)7-20-12(22)15(2,19-13(20)23)9-5-4-8(16)6-10(9)17/h4-6H,3,7H2,1-2H3,(H,19,23)(H,18,21,24)
InChIKeyIUHXHPMPOUVEAB-UHFFFAOYSA-N
MW388.21 g/mol
LogP2.03
Rot. Bonds4

About ethyl N-[2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]carbamate

ethyl N-[2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]carbamate (PubChem CID 5138739) has the molecular formula C15H15Cl2N3O5 and a molecular weight of 388.21 g/mol. Its IUPAC name is ethyl N-[2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]carbamate
PubChem CID5138739
Molecular FormulaC15H15Cl2N3O5
Molecular Weight388.21 g/mol
Exact Mass387.04
IUPAC Nameethyl N-[2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]carbamate
SMILESCCOC(=O)NC(=O)CN1C(=O)NC(C)(c2ccc(Cl)cc2Cl)C1=O
InChIInChI=1S/C15H15Cl2N3O5/c1-3-25-14(24)18-11(21)7-20-12(22)15(2,19-13(20)23)9-5-4-8(16)6-10(9)17/h4-6H,3,7H2,1-2H3,(H,19,23)(H,18,21,24)
InChIKeyIUHXHPMPOUVEAB-UHFFFAOYSA-N
XLogP2.03
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.21
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-propylacetamide
CID 4532304
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-pentan-2-ylacetamide
CID 4804687
2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide
CID 4804693
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
2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(2,3-dimethylphenyl)carbamoyl]acetamide
CID 46641518
2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-ethyl-6-methylphenyl)acetamide
CID 4804690
2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3,4-difluorophenyl)acetamide
CID 5154012
methyl 4-[[2-[(4R)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]butanoate
CID 8570913
2-[(4S)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 2703067
N-butyl-2-[(4S)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-ethylacetamide
CID 8570908

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]carbamate?
The IUPAC name of ethyl N-[2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]carbamate (CID 5138739) is ethyl N-[2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]carbamate.
What is the SMILES notation for ethyl N-[2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]carbamate?
The canonical SMILES for ethyl N-[2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]carbamate is CCOC(=O)NC(=O)CN1C(=O)NC(C)(c2ccc(Cl)cc2Cl)C1=O.
What is the InChIKey of ethyl N-[2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]carbamate?
The InChIKey is IUHXHPMPOUVEAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2N3O5/c1-3-25-14(24)18-11(21)7-20-12(22)15(2,19-13(20)23)9-5-4-8(16)6-10(9)17/h4-6H,3,7H2,1-2H3,(H,19,23)(H,18,21,24).
What are the key properties of ethyl N-[2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]carbamate?
ethyl N-[2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]carbamate has a molecular weight of 388.21 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]carbamate is sourced from PubChem (CID 5138739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).