2-(4-benzyl-2,5-dioxoimidazolidin-1-yl)-N-(2-bromo-4-methylphenyl)acetamide

C19H18BrN3O3 — CID 3932353

IUPAC2-(4-benzyl-2,5-dioxoimidazolidin-1-yl)-N-(2-bromo-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN2C(=O)NC(Cc3ccccc3)C2=O)c(Br)c1
InChIInChI=1S/C19H18BrN3O3/c1-12-7-8-15(14(20)9-12)21-17(24)11-23-18(25)16(22-19(23)26)10-13-5-3-2-4-6-13/h2-9,16H,10-11H2,1H3,(H,21,24)(H,22,26)
InChIKeySTDZHOIROOBFPS-UHFFFAOYSA-N
MW416.28 g/mol
LogP2.86
Rot. Bonds5

About 2-(4-benzyl-2,5-dioxoimidazolidin-1-yl)-N-(2-bromo-4-methylphenyl)acetamide

2-(4-benzyl-2,5-dioxoimidazolidin-1-yl)-N-(2-bromo-4-methylphenyl)acetamide (PubChem CID 3932353) has the molecular formula C19H18BrN3O3 and a molecular weight of 416.28 g/mol. Its IUPAC name is 2-(4-benzyl-2,5-dioxoimidazolidin-1-yl)-N-(2-bromo-4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-benzyl-2,5-dioxoimidazolidin-1-yl)-N-(2-bromo-4-methylphenyl)acetamide
PubChem CID3932353
Molecular FormulaC19H18BrN3O3
Molecular Weight416.28 g/mol
Exact Mass415.05
IUPAC Name2-(4-benzyl-2,5-dioxoimidazolidin-1-yl)-N-(2-bromo-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN2C(=O)NC(Cc3ccccc3)C2=O)c(Br)c1
InChIInChI=1S/C19H18BrN3O3/c1-12-7-8-15(14(20)9-12)21-17(24)11-23-18(25)16(22-19(23)26)10-13-5-3-2-4-6-13/h2-9,16H,10-11H2,1H3,(H,21,24)(H,22,26)
InChIKeySTDZHOIROOBFPS-UHFFFAOYSA-N
XLogP2.86
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.28
LogP ≤ 52.86
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

1-(2-bromophenyl)-3-[(3R)-1-(3-fluoro-4-methylphenyl)pyrrolidin-3-yl]urea
CID 10222094
1-(2-Bromophenyl)-3-{2-[ethyl(4-methylphenyl)amino]ethyl}urea
CID 24768238
1-(4-Aminobenzyl)-3-{2-[(2r)-2-(2-Bromophenyl)pyrrolidin-1-Yl]-2-Oxoethyl}urea
CID 67255983
N-(2-{[(2-bromophenyl)carbamoyl]amino}ethyl)-N-(3-methylphenyl)acetamide
CID 24768235
2-(benzylamino)-N-(2-bromo-4-methylphenyl)acetamide
CID 856355
N-(1-benzyl-5-bromo-2-oxo-2,3-dihydro-1H-indol-3-yl)acetamide
CID 2969896
N-(3-bromophenyl)-2-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
CID 3905761
US10208071, Table 3.3
CID 2622535
1,3-Bis(4-bromophenyl)-5-phenylimidazolidine-2,4-dione
CID 11851013
Hydantoin, 5-(4-dimethylaminophenyl)-
CID 3040363
Pyrrolidine-1,2-dicarboxylic acid 2-[(2-cyclohex-1-enyl-ethyl)-amide] 1-p-tolylamide
CID 644827
3-bromo-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]benzamide
CID 2100223

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzyl-2,5-dioxoimidazolidin-1-yl)-N-(2-bromo-4-methylphenyl)acetamide?
The IUPAC name of 2-(4-benzyl-2,5-dioxoimidazolidin-1-yl)-N-(2-bromo-4-methylphenyl)acetamide (CID 3932353) is 2-(4-benzyl-2,5-dioxoimidazolidin-1-yl)-N-(2-bromo-4-methylphenyl)acetamide.
What is the SMILES notation for 2-(4-benzyl-2,5-dioxoimidazolidin-1-yl)-N-(2-bromo-4-methylphenyl)acetamide?
The canonical SMILES for 2-(4-benzyl-2,5-dioxoimidazolidin-1-yl)-N-(2-bromo-4-methylphenyl)acetamide is Cc1ccc(NC(=O)CN2C(=O)NC(Cc3ccccc3)C2=O)c(Br)c1.
What is the InChIKey of 2-(4-benzyl-2,5-dioxoimidazolidin-1-yl)-N-(2-bromo-4-methylphenyl)acetamide?
The InChIKey is STDZHOIROOBFPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrN3O3/c1-12-7-8-15(14(20)9-12)21-17(24)11-23-18(25)16(22-19(23)26)10-13-5-3-2-4-6-13/h2-9,16H,10-11H2,1H3,(H,21,24)(H,22,26).
What are the key properties of 2-(4-benzyl-2,5-dioxoimidazolidin-1-yl)-N-(2-bromo-4-methylphenyl)acetamide?
2-(4-benzyl-2,5-dioxoimidazolidin-1-yl)-N-(2-bromo-4-methylphenyl)acetamide has a molecular weight of 416.28 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzyl-2,5-dioxoimidazolidin-1-yl)-N-(2-bromo-4-methylphenyl)acetamide is sourced from PubChem (CID 3932353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).