2-(3-bromoanilino)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide

C16H19BrN4O3 — CID 27056879

IUPAC2-(3-bromoanilino)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESO=C(CNc1cccc(Br)c1)NN1C(=O)NC2(CCCCC2)C1=O
InChIInChI=1S/C16H19BrN4O3/c17-11-5-4-6-12(9-11)18-10-13(22)20-21-14(23)16(19-15(21)24)7-2-1-3-8-16/h4-6,9,18H,1-3,7-8,10H2,(H,19,24)(H,20,22)
InChIKeyPJCUKSYZGCIHJQ-UHFFFAOYSA-N
MW395.26 g/mol
LogP2.15
Rot. Bonds4

About 2-(3-bromoanilino)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide

2-(3-bromoanilino)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (PubChem CID 27056879) has the molecular formula C16H19BrN4O3 and a molecular weight of 395.26 g/mol. Its IUPAC name is 2-(3-bromoanilino)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.

Molecular Properties

Compound Name2-(3-bromoanilino)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
PubChem CID27056879
Molecular FormulaC16H19BrN4O3
Molecular Weight395.26 g/mol
Exact Mass394.06
IUPAC Name2-(3-bromoanilino)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESO=C(CNc1cccc(Br)c1)NN1C(=O)NC2(CCCCC2)C1=O
InChIInChI=1S/C16H19BrN4O3/c17-11-5-4-6-12(9-11)18-10-13(22)20-21-14(23)16(19-15(21)24)7-2-1-3-8-16/h4-6,9,18H,1-3,7-8,10H2,(H,19,24)(H,20,22)
InChIKeyPJCUKSYZGCIHJQ-UHFFFAOYSA-N
XLogP2.15
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.26
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(2-methoxy-5-methylanilino)acetamide
CID 27056892
N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(2-methyl-3-nitroanilino)acetamide
CID 27056903
2-(5-chloro-2-methoxyanilino)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 24533725
2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 24533737
[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium
CID 8538416
[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 5-bromo-2-hydroxybenzoate
CID 16525387
N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(4-methylphenyl)acetamide
CID 17446177
N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 9292446
[2-(3-bromoanilino)-2-oxoethyl] 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanoate
CID 47094319
[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] benzoate
CID 7874358
N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-4-(3-methylphenoxy)butanamide
CID 8873650
[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate
CID 16500399

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromoanilino)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The IUPAC name of 2-(3-bromoanilino)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (CID 27056879) is 2-(3-bromoanilino)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.
What is the SMILES notation for 2-(3-bromoanilino)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The canonical SMILES for 2-(3-bromoanilino)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is O=C(CNc1cccc(Br)c1)NN1C(=O)NC2(CCCCC2)C1=O.
What is the InChIKey of 2-(3-bromoanilino)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The InChIKey is PJCUKSYZGCIHJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN4O3/c17-11-5-4-6-12(9-11)18-10-13(22)20-21-14(23)16(19-15(21)24)7-2-1-3-8-16/h4-6,9,18H,1-3,7-8,10H2,(H,19,24)(H,20,22).
What are the key properties of 2-(3-bromoanilino)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
2-(3-bromoanilino)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide has a molecular weight of 395.26 g/mol, XLogP of 2.15, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromoanilino)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is sourced from PubChem (CID 27056879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).