N-(2,6-dichloro-3-methylphenyl)-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide

C16H17Cl2N3O4 — CID 2660284

IUPACN-(2,6-dichloro-3-methylphenyl)-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
SMILESCc1ccc(Cl)c(NC(=O)CN2C(=O)C(=O)N(CC(C)C)C2=O)c1Cl
InChIInChI=1S/C16H17Cl2N3O4/c1-8(2)6-20-14(23)15(24)21(16(20)25)7-11(22)19-13-10(17)5-4-9(3)12(13)18/h4-5,8H,6-7H2,1-3H3,(H,19,22)
InChIKeyUJEUACAKXXQAOT-UHFFFAOYSA-N
MW386.24 g/mol
LogP2.69
Rot. Bonds5

About N-(2,6-dichloro-3-methylphenyl)-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide

N-(2,6-dichloro-3-methylphenyl)-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide (PubChem CID 2660284) has the molecular formula C16H17Cl2N3O4 and a molecular weight of 386.24 g/mol. Its IUPAC name is N-(2,6-dichloro-3-methylphenyl)-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,6-dichloro-3-methylphenyl)-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
PubChem CID2660284
Molecular FormulaC16H17Cl2N3O4
Molecular Weight386.24 g/mol
Exact Mass385.06
IUPAC NameN-(2,6-dichloro-3-methylphenyl)-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
SMILESCc1ccc(Cl)c(NC(=O)CN2C(=O)C(=O)N(CC(C)C)C2=O)c1Cl
InChIInChI=1S/C16H17Cl2N3O4/c1-8(2)6-20-14(23)15(24)21(16(20)25)7-11(22)19-13-10(17)5-4-9(3)12(13)18/h4-5,8H,6-7H2,1-3H3,(H,19,22)
InChIKeyUJEUACAKXXQAOT-UHFFFAOYSA-N
XLogP2.69
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.24
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2,6-di(propan-2-yl)phenyl]-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 2660949
2-[(3aS,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-(2,6-dichloro-3-methylphenyl)acetamide
CID 2708283
2-[(3aS,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(2,6-dichloro-3-methylphenyl)acetamide
CID 7952417
2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 2574652
2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]-N-phenylacetamide
CID 2574725
N-(2,6-dichloro-3-methylphenyl)-2-(3-hydroxybutan-2-ylsulfanyl)acetamide
CID 103705546
N-(2-fluorophenyl)-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 2574811
N-[4-(dimethylamino)phenyl]-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 2574686
N-[4-(4-methylphenoxy)phenyl]-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 7837528
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 8888782
3-(2,6-dichloro-3-methylanilino)-3-oxopropanoic acid
CID 62231070
2-[4,4-bis(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2,6-dichloro-3-methylphenyl)acetamide
CID 2470081

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichloro-3-methylphenyl)-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide?
The IUPAC name of N-(2,6-dichloro-3-methylphenyl)-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide (CID 2660284) is N-(2,6-dichloro-3-methylphenyl)-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-(2,6-dichloro-3-methylphenyl)-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N-(2,6-dichloro-3-methylphenyl)-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide is Cc1ccc(Cl)c(NC(=O)CN2C(=O)C(=O)N(CC(C)C)C2=O)c1Cl.
What is the InChIKey of N-(2,6-dichloro-3-methylphenyl)-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide?
The InChIKey is UJEUACAKXXQAOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2N3O4/c1-8(2)6-20-14(23)15(24)21(16(20)25)7-11(22)19-13-10(17)5-4-9(3)12(13)18/h4-5,8H,6-7H2,1-3H3,(H,19,22).
What are the key properties of N-(2,6-dichloro-3-methylphenyl)-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide?
N-(2,6-dichloro-3-methylphenyl)-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide has a molecular weight of 386.24 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichloro-3-methylphenyl)-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 2660284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).