N-(4-bromophenyl)-2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetamide

C17H22BrN3O3 — CID 7241991

IUPACN-(4-bromophenyl)-2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetamide
SMILESCCCC1(CCC)NC(=O)N(CC(=O)Nc2ccc(Br)cc2)C1=O
InChIInChI=1S/C17H22BrN3O3/c1-3-9-17(10-4-2)15(23)21(16(24)20-17)11-14(22)19-13-7-5-12(18)6-8-13/h5-8H,3-4,9-11H2,1-2H3,(H,19,22)(H,20,24)
InChIKeyCJPRDIDULAXJBO-UHFFFAOYSA-N
MW396.29 g/mol
LogP3.28
Rot. Bonds7

About N-(4-bromophenyl)-2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetamide

N-(4-bromophenyl)-2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetamide (PubChem CID 7241991) has the molecular formula C17H22BrN3O3 and a molecular weight of 396.29 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetamide
PubChem CID7241991
Molecular FormulaC17H22BrN3O3
Molecular Weight396.29 g/mol
Exact Mass395.08
IUPAC NameN-(4-bromophenyl)-2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetamide
SMILESCCCC1(CCC)NC(=O)N(CC(=O)Nc2ccc(Br)cc2)C1=O
InChIInChI=1S/C17H22BrN3O3/c1-3-9-17(10-4-2)15(23)21(16(24)20-17)11-14(22)19-13-7-5-12(18)6-8-13/h5-8H,3-4,9-11H2,1-2H3,(H,19,22)(H,20,24)
InChIKeyCJPRDIDULAXJBO-UHFFFAOYSA-N
XLogP3.28
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.29
LogP ≤ 53.28
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-cyanophenyl)-2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetamide
CID 2078188
N-(4-acetamidophenyl)-2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 7181137
2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 24629426
2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)-N-(3-propan-2-ylphenyl)acetamide
CID 24565725
N-(4-bromophenyl)-2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 2580352
N-(3-bromophenyl)-2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 2708881
[2-(4-tert-butylanilino)-2-oxoethyl] 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetate
CID 7617508
2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 2436338
2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)-N-(2-methylsulfanylphenyl)acetamide
CID 7242029
N-(2,5-dimethylphenyl)-2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetamide
CID 2579807
2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)-N-(6-morpholin-4-yl-3-pyridinyl)acetamide
CID 43038065
4-[[2-[(4S)-4-(4-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzamide
CID 40810147

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetamide?
The IUPAC name of N-(4-bromophenyl)-2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetamide (CID 7241991) is N-(4-bromophenyl)-2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetamide?
The canonical SMILES for N-(4-bromophenyl)-2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetamide is CCCC1(CCC)NC(=O)N(CC(=O)Nc2ccc(Br)cc2)C1=O.
What is the InChIKey of N-(4-bromophenyl)-2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetamide?
The InChIKey is CJPRDIDULAXJBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BrN3O3/c1-3-9-17(10-4-2)15(23)21(16(24)20-17)11-14(22)19-13-7-5-12(18)6-8-13/h5-8H,3-4,9-11H2,1-2H3,(H,19,22)(H,20,24).
What are the key properties of N-(4-bromophenyl)-2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetamide?
N-(4-bromophenyl)-2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetamide has a molecular weight of 396.29 g/mol, XLogP of 3.28, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetamide is sourced from PubChem (CID 7241991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).