N-(4-bromophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide

C18H22BrN3O3 — CID 2583729

IUPACN-(4-bromophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide
SMILESO=C(CN1C(=O)NC2(CCCCCCC2)C1=O)Nc1ccc(Br)cc1
InChIInChI=1S/C18H22BrN3O3/c19-13-6-8-14(9-7-13)20-15(23)12-22-16(24)18(21-17(22)25)10-4-2-1-3-5-11-18/h6-9H,1-5,10-12H2,(H,20,23)(H,21,25)
InChIKeyFIJKSKJYLPBLKS-UHFFFAOYSA-N
MW408.30 g/mol
LogP3.42
Rot. Bonds3

About N-(4-bromophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide

N-(4-bromophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide (PubChem CID 2583729) has the molecular formula C18H22BrN3O3 and a molecular weight of 408.30 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide
PubChem CID2583729
Molecular FormulaC18H22BrN3O3
Molecular Weight408.30 g/mol
Exact Mass407.08
IUPAC NameN-(4-bromophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide
SMILESO=C(CN1C(=O)NC2(CCCCCCC2)C1=O)Nc1ccc(Br)cc1
InChIInChI=1S/C18H22BrN3O3/c19-13-6-8-14(9-7-13)20-15(23)12-22-16(24)18(21-17(22)25)10-4-2-1-3-5-11-18/h6-9H,1-5,10-12H2,(H,20,23)(H,21,25)
InChIKeyFIJKSKJYLPBLKS-UHFFFAOYSA-N
XLogP3.42
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.30
LogP ≤ 53.42
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

2-(2,4-dioxo-1,3-diazaspiro[4.5]dec-3-yl)-N-(4-fluorophenyl)acetamide
CID 2078174
N-(4-acetamidophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide
CID 2584000
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
1-(4-Bromophenyl)-2,4-imidazolidinedione
CID 870624
2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-(3-ethylphenyl)acetamide
CID 2583474
2-(4-benzyl-2,5-dioxoimidazolidin-1-yl)-N-(2-bromo-4-methylphenyl)acetamide
CID 3932353
N-(4-bromo-3-methylphenyl)-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 7677785
1-(4-bromophenyl)-3-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]urea
CID 11418989
N-(4-bromo-3-methylphenyl)-2-[4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 16291749
N-[2-(2-bromoanilino)-2-oxoethyl]-3-cyclopentyl-N-methylpropanamide
CID 24818305

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide?
The IUPAC name of N-(4-bromophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide (CID 2583729) is N-(4-bromophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide?
The canonical SMILES for N-(4-bromophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide is O=C(CN1C(=O)NC2(CCCCCCC2)C1=O)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide?
The InChIKey is FIJKSKJYLPBLKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrN3O3/c19-13-6-8-14(9-7-13)20-15(23)12-22-16(24)18(21-17(22)25)10-4-2-1-3-5-11-18/h6-9H,1-5,10-12H2,(H,20,23)(H,21,25).
What are the key properties of N-(4-bromophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide?
N-(4-bromophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide has a molecular weight of 408.30 g/mol, XLogP of 3.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide is sourced from PubChem (CID 2583729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).