1-(5-bromo-2-chlorophenyl)-1,3-diazinane-2,4-dione

C10H8BrClN2O2 — CID 79776913

IUPAC1-(5-bromo-2-chlorophenyl)-1,3-diazinane-2,4-dione
SMILESO=C1CCN(c2cc(Br)ccc2Cl)C(=O)N1
InChIInChI=1S/C10H8BrClN2O2/c11-6-1-2-7(12)8(5-6)14-4-3-9(15)13-10(14)16/h1-2,5H,3-4H2,(H,13,15,16)
InChIKeyKKLNRNJXSZIFMC-UHFFFAOYSA-N
MW303.54 g/mol
LogP2.55
Rot. Bonds1

About 1-(5-bromo-2-chlorophenyl)-1,3-diazinane-2,4-dione

1-(5-bromo-2-chlorophenyl)-1,3-diazinane-2,4-dione (PubChem CID 79776913) has the molecular formula C10H8BrClN2O2 and a molecular weight of 303.54 g/mol. Its IUPAC name is 1-(5-bromo-2-chlorophenyl)-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-(5-bromo-2-chlorophenyl)-1,3-diazinane-2,4-dione
PubChem CID79776913
Molecular FormulaC10H8BrClN2O2
Molecular Weight303.54 g/mol
Exact Mass301.95
IUPAC Name1-(5-bromo-2-chlorophenyl)-1,3-diazinane-2,4-dione
SMILESO=C1CCN(c2cc(Br)ccc2Cl)C(=O)N1
InChIInChI=1S/C10H8BrClN2O2/c11-6-1-2-7(12)8(5-6)14-4-3-9(15)13-10(14)16/h1-2,5H,3-4H2,(H,13,15,16)
InChIKeyKKLNRNJXSZIFMC-UHFFFAOYSA-N
XLogP2.55
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.54
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,4(1H,3H)-Pyrimidinedione, dihydro-3-(2-chlorophenyl)-1-methyl-
CID 3059886
1-(4-Bromophenyl)-1,3-diazinane-2,4-dione
CID 79777070
1-(2-chlorophenyl)dihydropyrimidine-2,4(1H,3H)-dione
CID 73456921
1-(3-Bromophenyl)-1,3-diazinane-2,4-dione
CID 79777240
3-(2-Chlorophenyl)-1-propan-2-yl-1,3-diazinane-2,4-dione
CID 2813018
1-(4-Chlorophenyl)dihydro-2,4(1H,3H)-pyrimidinedione
CID 23321813
1-(5-Bromo-2-fluorophenyl)-1,3-diazinane-2,4-dione
CID 79778096
3-(5-bromo-2-chlorophenyl)-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione
CID 156716030
1-(3-Bromo-2-fluorophenyl)dihydropyrimidine-2,4(1H,3H)-dione
CID 169548747
N-(3-bromophenyl)-1-(3-chloro-4-fluorophenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide
CID 73329498
1-(2-Chloro-4-fluorophenyl)-5-methyl-1,3-diazinane-2,4-dione
CID 79776975
1-(2-Chloro-4-fluorophenyl)-1,3-diazinane-2,4-dione
CID 79777058

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-chlorophenyl)-1,3-diazinane-2,4-dione?
The IUPAC name of 1-(5-bromo-2-chlorophenyl)-1,3-diazinane-2,4-dione (CID 79776913) is 1-(5-bromo-2-chlorophenyl)-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-(5-bromo-2-chlorophenyl)-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-(5-bromo-2-chlorophenyl)-1,3-diazinane-2,4-dione is O=C1CCN(c2cc(Br)ccc2Cl)C(=O)N1.
What is the InChIKey of 1-(5-bromo-2-chlorophenyl)-1,3-diazinane-2,4-dione?
The InChIKey is KKLNRNJXSZIFMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrClN2O2/c11-6-1-2-7(12)8(5-6)14-4-3-9(15)13-10(14)16/h1-2,5H,3-4H2,(H,13,15,16).
What are the key properties of 1-(5-bromo-2-chlorophenyl)-1,3-diazinane-2,4-dione?
1-(5-bromo-2-chlorophenyl)-1,3-diazinane-2,4-dione has a molecular weight of 303.54 g/mol, XLogP of 2.55, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-chlorophenyl)-1,3-diazinane-2,4-dione is sourced from PubChem (CID 79776913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).