N-[1-(4-bromophenyl)ethyl]-2-(3-cyclopropyl-2,5-dioxoimidazolidin-1-yl)acetamide

C16H18BrN3O3 — CID 87022636

IUPACN-[1-(4-bromophenyl)ethyl]-2-(3-cyclopropyl-2,5-dioxoimidazolidin-1-yl)acetamide
SMILESCC(NC(=O)CN1C(=O)CN(C2CC2)C1=O)c1ccc(Br)cc1
InChIInChI=1S/C16H18BrN3O3/c1-10(11-2-4-12(17)5-3-11)18-14(21)8-20-15(22)9-19(16(20)23)13-6-7-13/h2-5,10,13H,6-9H2,1H3,(H,18,21)
InChIKeyRQYWQBUKKIYWAE-UHFFFAOYSA-N
MW380.24 g/mol
LogP2.05
Rot. Bonds5

About N-[1-(4-bromophenyl)ethyl]-2-(3-cyclopropyl-2,5-dioxoimidazolidin-1-yl)acetamide

N-[1-(4-bromophenyl)ethyl]-2-(3-cyclopropyl-2,5-dioxoimidazolidin-1-yl)acetamide (PubChem CID 87022636) has the molecular formula C16H18BrN3O3 and a molecular weight of 380.24 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)ethyl]-2-(3-cyclopropyl-2,5-dioxoimidazolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)ethyl]-2-(3-cyclopropyl-2,5-dioxoimidazolidin-1-yl)acetamide
PubChem CID87022636
Molecular FormulaC16H18BrN3O3
Molecular Weight380.24 g/mol
Exact Mass379.05
IUPAC NameN-[1-(4-bromophenyl)ethyl]-2-(3-cyclopropyl-2,5-dioxoimidazolidin-1-yl)acetamide
SMILESCC(NC(=O)CN1C(=O)CN(C2CC2)C1=O)c1ccc(Br)cc1
InChIInChI=1S/C16H18BrN3O3/c1-10(11-2-4-12(17)5-3-11)18-14(21)8-20-15(22)9-19(16(20)23)13-6-7-13/h2-5,10,13H,6-9H2,1H3,(H,18,21)
InChIKeyRQYWQBUKKIYWAE-UHFFFAOYSA-N
XLogP2.05
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.24
LogP ≤ 52.05
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-(3-cyclopropyl-2,5-dioxoimidazolidin-1-yl)-N-[1-[4-(2-methylpropyl)phenyl]ethyl]acetamide
CID 87022626
2-(3-cyclopropyl-2,5-dioxoimidazolidin-1-yl)-N-(3-methylbutan-2-yl)acetamide
CID 87022541
N-[(1R)-1-(4-bromophenyl)ethyl]-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 7557966
2-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-[(1S)-1-phenylethyl]acetamide
CID 8014784
N-[1-(4-bromophenyl)ethyl]-2-[4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 112774928
N-cyclopropyl-2-(3-cyclopropyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 87022402
N-[1-(4-bromophenyl)ethyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride
CID 119753177
1-[2-[1-(4-bromophenyl)ethylamino]-2-oxoethyl]piperidine-4-carboxylic acid;hydrochloride
CID 119907579
2-(2,5-dioxo-3-phenylimidazolidin-1-yl)-N-[1-(4-ethylphenyl)ethyl]acetamide
CID 60519723
2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-[1-(4-bromophenyl)ethyl]acetamide
CID 60916302
N-[1-(4-bromophenyl)ethyl]-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]acetamide
CID 102788189
N-cyclohexyl-2-(3-cyclopropyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 87022438

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)ethyl]-2-(3-cyclopropyl-2,5-dioxoimidazolidin-1-yl)acetamide?
The IUPAC name of N-[1-(4-bromophenyl)ethyl]-2-(3-cyclopropyl-2,5-dioxoimidazolidin-1-yl)acetamide (CID 87022636) is N-[1-(4-bromophenyl)ethyl]-2-(3-cyclopropyl-2,5-dioxoimidazolidin-1-yl)acetamide.
What is the SMILES notation for N-[1-(4-bromophenyl)ethyl]-2-(3-cyclopropyl-2,5-dioxoimidazolidin-1-yl)acetamide?
The canonical SMILES for N-[1-(4-bromophenyl)ethyl]-2-(3-cyclopropyl-2,5-dioxoimidazolidin-1-yl)acetamide is CC(NC(=O)CN1C(=O)CN(C2CC2)C1=O)c1ccc(Br)cc1.
What is the InChIKey of N-[1-(4-bromophenyl)ethyl]-2-(3-cyclopropyl-2,5-dioxoimidazolidin-1-yl)acetamide?
The InChIKey is RQYWQBUKKIYWAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN3O3/c1-10(11-2-4-12(17)5-3-11)18-14(21)8-20-15(22)9-19(16(20)23)13-6-7-13/h2-5,10,13H,6-9H2,1H3,(H,18,21).
What are the key properties of N-[1-(4-bromophenyl)ethyl]-2-(3-cyclopropyl-2,5-dioxoimidazolidin-1-yl)acetamide?
N-[1-(4-bromophenyl)ethyl]-2-(3-cyclopropyl-2,5-dioxoimidazolidin-1-yl)acetamide has a molecular weight of 380.24 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)ethyl]-2-(3-cyclopropyl-2,5-dioxoimidazolidin-1-yl)acetamide is sourced from PubChem (CID 87022636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).