N-[4-(4-bromophenyl)butan-2-yl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide

C15H18BrN3O3 — CID 86828631

IUPACN-[4-(4-bromophenyl)butan-2-yl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide
SMILESCC(CCc1ccc(Br)cc1)NC(=O)CN1C(=O)CNC1=O
InChIInChI=1S/C15H18BrN3O3/c1-10(2-3-11-4-6-12(16)7-5-11)18-13(20)9-19-14(21)8-17-15(19)22/h4-7,10H,2-3,8-9H2,1H3,(H,17,22)(H,18,20)
InChIKeyOYZOBWAFOXVTQW-UHFFFAOYSA-N
MW368.23 g/mol
LogP1.44
Rot. Bonds6

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

N-[4-(4-bromophenyl)butan-2-yl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide (PubChem CID 86828631) has the molecular formula C15H18BrN3O3 and a molecular weight of 368.23 g/mol. Its IUPAC name is N-[4-(4-bromophenyl)butan-2-yl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[4-(4-bromophenyl)butan-2-yl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide
PubChem CID86828631
Molecular FormulaC15H18BrN3O3
Molecular Weight368.23 g/mol
Exact Mass367.05
IUPAC NameN-[4-(4-bromophenyl)butan-2-yl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide
SMILESCC(CCc1ccc(Br)cc1)NC(=O)CN1C(=O)CNC1=O
InChIInChI=1S/C15H18BrN3O3/c1-10(2-3-11-4-6-12(16)7-5-11)18-13(20)9-19-14(21)8-17-15(19)22/h4-7,10H,2-3,8-9H2,1H3,(H,17,22)(H,18,20)
InChIKeyOYZOBWAFOXVTQW-UHFFFAOYSA-N
XLogP1.44
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.23
LogP ≤ 51.44
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

N-(4-bromophenyl)-2-(2,5-dioxoimidazolidin-1-yl)acetamide
CID 66488904
N-[4-(4-bromophenyl)butan-2-yl]-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide
CID 60566374
methyl 2-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]propanoate
CID 60638121
N-[2-(4-tert-butylphenyl)ethyl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide
CID 71941577
2-(2,5-dioxoimidazolidin-1-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 110686711
N-[1-(4-bromophenyl)propan-2-yl]-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetamide
CID 55716886
(2S)-2-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]-2-phenylacetic acid
CID 103804710
2-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]-2-phenylacetic acid
CID 43358379
N-[4-(4-bromophenyl)butan-2-yl]-2-(3-nitro-1,2,4-triazol-1-yl)acetamide
CID 86834491
N-[4-(4-bromophenyl)butan-2-yl]-3-(3,5-dimethoxyphenyl)propanamide
CID 60566570
N-(4-bromophenyl)-3-oxo-4-[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl]piperazine-1-carboxamide
CID 93072611
(2S)-N-[(2R)-4-(4-bromophenyl)butan-2-yl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide
CID 52866558

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-bromophenyl)butan-2-yl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide?
The IUPAC name of N-[4-(4-bromophenyl)butan-2-yl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide (CID 86828631) is N-[4-(4-bromophenyl)butan-2-yl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide.
What is the SMILES notation for N-[4-(4-bromophenyl)butan-2-yl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide?
The canonical SMILES for N-[4-(4-bromophenyl)butan-2-yl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide is CC(CCc1ccc(Br)cc1)NC(=O)CN1C(=O)CNC1=O.
What is the InChIKey of N-[4-(4-bromophenyl)butan-2-yl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide?
The InChIKey is OYZOBWAFOXVTQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O3/c1-10(2-3-11-4-6-12(16)7-5-11)18-13(20)9-19-14(21)8-17-15(19)22/h4-7,10H,2-3,8-9H2,1H3,(H,17,22)(H,18,20).
What are the key properties of N-[4-(4-bromophenyl)butan-2-yl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide?
N-[4-(4-bromophenyl)butan-2-yl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide has a molecular weight of 368.23 g/mol, XLogP of 1.44, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-bromophenyl)butan-2-yl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide is sourced from PubChem (CID 86828631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).