3-[(4-bromophenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione

C14H15BrN2O2 — CID 2708825

IUPAC3-[(4-bromophenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESO=C1NC2(CCCC2)C(=O)N1Cc1ccc(Br)cc1
InChIInChI=1S/C14H15BrN2O2/c15-11-5-3-10(4-6-11)9-17-12(18)14(16-13(17)19)7-1-2-8-14/h3-6H,1-2,7-9H2,(H,16,19)
InChIKeyUALVRMDORGBJBW-UHFFFAOYSA-N
MW323.19 g/mol
LogP2.81
Rot. Bonds2

About 3-[(4-bromophenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione

3-[(4-bromophenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione (PubChem CID 2708825) has the molecular formula C14H15BrN2O2 and a molecular weight of 323.19 g/mol. Its IUPAC name is 3-[(4-bromophenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione.

Molecular Properties

Compound Name3-[(4-bromophenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
PubChem CID2708825
Molecular FormulaC14H15BrN2O2
Molecular Weight323.19 g/mol
Exact Mass322.03
IUPAC Name3-[(4-bromophenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESO=C1NC2(CCCC2)C(=O)N1Cc1ccc(Br)cc1
InChIInChI=1S/C14H15BrN2O2/c15-11-5-3-10(4-6-11)9-17-12(18)14(16-13(17)19)7-1-2-8-14/h3-6H,1-2,7-9H2,(H,16,19)
InChIKeyUALVRMDORGBJBW-UHFFFAOYSA-N
XLogP2.81
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.19
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(3-Bromophenyl)-5-methylimidazolidine-2,4-dione
CID 243332
Hydantoin, 5-(m-bromobenzyl)-3-methyl-
CID 53521
N-benzyl-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide
CID 2437068
3-[(2-Bromophenyl)methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 9515980
5-(4-Bromophenyl)-5-methylimidazolidine-2,4-dione
CID 233110
(5E)-1-benzyl-5-[(4-bromophenyl)methylidene]imidazolidine-2,4-dione
CID 25185174
N-benzyl-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-propan-2-ylacetamide
CID 2372376
2-[4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-cyclohexylacetamide
CID 3380749
2-[4-(2-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-cyclohexylacetamide
CID 4395430
5,5-Bis(4-bromophenyl)-3-heptylimidazolidine-2,4-dione
CID 10346150
3-[(4-Bromophenyl)methyl]-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 16195914
4-bromo-N'-[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]benzohydrazide
CID 18271743

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromophenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The IUPAC name of 3-[(4-bromophenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione (CID 2708825) is 3-[(4-bromophenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione.
What is the SMILES notation for 3-[(4-bromophenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The canonical SMILES for 3-[(4-bromophenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione is O=C1NC2(CCCC2)C(=O)N1Cc1ccc(Br)cc1.
What is the InChIKey of 3-[(4-bromophenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The InChIKey is UALVRMDORGBJBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O2/c15-11-5-3-10(4-6-11)9-17-12(18)14(16-13(17)19)7-1-2-8-14/h3-6H,1-2,7-9H2,(H,16,19).
What are the key properties of 3-[(4-bromophenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
3-[(4-bromophenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione has a molecular weight of 323.19 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromophenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione is sourced from PubChem (CID 2708825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).