1-(2-bromophenyl)-5-cyclopentyl-1,3-diazinane-2,4,6-trione

C15H15BrN2O3 — CID 115945625

IUPAC1-(2-bromophenyl)-5-cyclopentyl-1,3-diazinane-2,4,6-trione
SMILESO=C1NC(=O)N(c2ccccc2Br)C(=O)C1C1CCCC1
InChIInChI=1S/C15H15BrN2O3/c16-10-7-3-4-8-11(10)18-14(20)12(9-5-1-2-6-9)13(19)17-15(18)21/h3-4,7-9,12H,1-2,5-6H2,(H,17,19,21)
InChIKeyWPEKRSUAZCWWNQ-UHFFFAOYSA-N
MW351.20 g/mol
LogP2.84
Rot. Bonds2

About 1-(2-bromophenyl)-5-cyclopentyl-1,3-diazinane-2,4,6-trione

1-(2-bromophenyl)-5-cyclopentyl-1,3-diazinane-2,4,6-trione (PubChem CID 115945625) has the molecular formula C15H15BrN2O3 and a molecular weight of 351.20 g/mol. Its IUPAC name is 1-(2-bromophenyl)-5-cyclopentyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1-(2-bromophenyl)-5-cyclopentyl-1,3-diazinane-2,4,6-trione
PubChem CID115945625
Molecular FormulaC15H15BrN2O3
Molecular Weight351.20 g/mol
Exact Mass350.03
IUPAC Name1-(2-bromophenyl)-5-cyclopentyl-1,3-diazinane-2,4,6-trione
SMILESO=C1NC(=O)N(c2ccccc2Br)C(=O)C1C1CCCC1
InChIInChI=1S/C15H15BrN2O3/c16-10-7-3-4-8-11(10)18-14(20)12(9-5-1-2-6-9)13(19)17-15(18)21/h3-4,7-9,12H,1-2,5-6H2,(H,17,19,21)
InChIKeyWPEKRSUAZCWWNQ-UHFFFAOYSA-N
XLogP2.84
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.20
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 1-(2-bromophenyl)-5-cyclopentyl-1,3-diazinane-2,4,6-trione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3aR,7aS)-2-(2-bromophenyl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 2267253
1-(2-bromophenyl)imidazolidine-2,4,5-trione
CID 43153907
3-(2-bromophenyl)-8-oxa-3-azabicyclo[3.2.1]octane-2,4-dione
CID 102689766
1-(2-bromophenyl)-1,3-diazinane-2,4,6-trione
CID 112597653
1,5-dicyclopentyl-1,3-diazinane-2,4,6-trione
CID 112598446
(1R,2R,6S,7R)-4-(2-bromophenyl)-4-azatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione
CID 98124773
4-cyclohexyl-1-phenylpyrazolidine-3,5-dione
CID 3041629
5-cyclohexyl-3-(2-fluorophenyl)imidazolidine-2,4-dione
CID 61015750
(3S)-3-cyclohexyl-1-methyl-3H-indol-2-one
CID 135061670
1-(2-bromophenyl)-3-phenylpyrrolidine-2,5-dione
CID 60703087
5-cyclopentyl-1-(2,2-difluoroethyl)-1,3-diazinane-2,4,6-trione
CID 112601416
5-cyclopentyl-1-(4-methylcyclohexyl)-1,3-diazinane-2,4,6-trione
CID 104963571

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-5-cyclopentyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1-(2-bromophenyl)-5-cyclopentyl-1,3-diazinane-2,4,6-trione (CID 115945625) is 1-(2-bromophenyl)-5-cyclopentyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1-(2-bromophenyl)-5-cyclopentyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1-(2-bromophenyl)-5-cyclopentyl-1,3-diazinane-2,4,6-trione is O=C1NC(=O)N(c2ccccc2Br)C(=O)C1C1CCCC1.
What is the InChIKey of 1-(2-bromophenyl)-5-cyclopentyl-1,3-diazinane-2,4,6-trione?
The InChIKey is WPEKRSUAZCWWNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O3/c16-10-7-3-4-8-11(10)18-14(20)12(9-5-1-2-6-9)13(19)17-15(18)21/h3-4,7-9,12H,1-2,5-6H2,(H,17,19,21).
What are the key properties of 1-(2-bromophenyl)-5-cyclopentyl-1,3-diazinane-2,4,6-trione?
1-(2-bromophenyl)-5-cyclopentyl-1,3-diazinane-2,4,6-trione has a molecular weight of 351.20 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-5-cyclopentyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 115945625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).