N-(2,5-dibromophenyl)-4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanamide

C17H19Br2N3O3 — CID 55611380

IUPACN-(2,5-dibromophenyl)-4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanamide
SMILESO=C(CCCN1C(=O)NC2(CCCC2)C1=O)Nc1cc(Br)ccc1Br
InChIInChI=1S/C17H19Br2N3O3/c18-11-5-6-12(19)13(10-11)20-14(23)4-3-9-22-15(24)17(21-16(22)25)7-1-2-8-17/h5-6,10H,1-4,7-9H2,(H,20,23)(H,21,25)
InChIKeyDMPQGSZNCFMTRF-UHFFFAOYSA-N
MW473.17 g/mol
LogP3.79
Rot. Bonds5

About N-(2,5-dibromophenyl)-4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanamide

N-(2,5-dibromophenyl)-4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanamide (PubChem CID 55611380) has the molecular formula C17H19Br2N3O3 and a molecular weight of 473.17 g/mol. Its IUPAC name is N-(2,5-dibromophenyl)-4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanamide.

Molecular Properties

Compound NameN-(2,5-dibromophenyl)-4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanamide
PubChem CID55611380
Molecular FormulaC17H19Br2N3O3
Molecular Weight473.17 g/mol
Exact Mass470.98
IUPAC NameN-(2,5-dibromophenyl)-4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanamide
SMILESO=C(CCCN1C(=O)NC2(CCCC2)C1=O)Nc1cc(Br)ccc1Br
InChIInChI=1S/C17H19Br2N3O3/c18-11-5-6-12(19)13(10-11)20-14(23)4-3-9-22-15(24)17(21-16(22)25)7-1-2-8-17/h5-6,10H,1-4,7-9H2,(H,20,23)(H,21,25)
InChIKeyDMPQGSZNCFMTRF-UHFFFAOYSA-N
XLogP3.79
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.17
LogP ≤ 53.79
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

4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-naphthalen-1-ylbutanamide
CID 17429861
N-(4-bromo-2-fluorophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide
CID 2701816
N-(2,4-dimethylphenyl)-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide
CID 9467842
4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-methylsulfanylphenyl)butanamide
CID 18151070
4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-pyrrolidin-1-ylphenyl)butanamide
CID 18151188
4-chloro-N-(2,5-dibromophenyl)butanamide
CID 63307782
4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(3-propan-2-ylphenyl)butanamide
CID 8732916
3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-naphthalen-1-ylpropanamide
CID 17468537
3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(5-fluoro-2-methylphenyl)propanamide
CID 17480205
[2-(3-bromoanilino)-2-oxoethyl] 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanoate
CID 47094319
[2-(2,4-dimethylanilino)-2-oxoethyl] 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanoate
CID 8671655
3-(4-oxopentyl)-1,3-diazaspiro[4.7]dodecane-2,4-dione
CID 62019381

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dibromophenyl)-4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanamide?
The IUPAC name of N-(2,5-dibromophenyl)-4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanamide (CID 55611380) is N-(2,5-dibromophenyl)-4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanamide.
What is the SMILES notation for N-(2,5-dibromophenyl)-4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanamide?
The canonical SMILES for N-(2,5-dibromophenyl)-4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanamide is O=C(CCCN1C(=O)NC2(CCCC2)C1=O)Nc1cc(Br)ccc1Br.
What is the InChIKey of N-(2,5-dibromophenyl)-4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanamide?
The InChIKey is DMPQGSZNCFMTRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Br2N3O3/c18-11-5-6-12(19)13(10-11)20-14(23)4-3-9-22-15(24)17(21-16(22)25)7-1-2-8-17/h5-6,10H,1-4,7-9H2,(H,20,23)(H,21,25).
What are the key properties of N-(2,5-dibromophenyl)-4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanamide?
N-(2,5-dibromophenyl)-4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanamide has a molecular weight of 473.17 g/mol, XLogP of 3.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dibromophenyl)-4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanamide is sourced from PubChem (CID 55611380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).