1-(5-bromo-4-fluoro-2-methylphenyl)-1,3-diazinan-2-one

C11H12BrFN2O — CID 107590497

IUPAC1-(5-bromo-4-fluoro-2-methylphenyl)-1,3-diazinan-2-one
SMILESCc1cc(F)c(Br)cc1N1CCCNC1=O
InChIInChI=1S/C11H12BrFN2O/c1-7-5-9(13)8(12)6-10(7)15-4-2-3-14-11(15)16/h5-6H,2-4H2,1H3,(H,14,16)
InChIKeyQFWNHUWEYLEKIC-UHFFFAOYSA-N
MW287.13 g/mol
LogP2.82
Rot. Bonds1

About 1-(5-bromo-4-fluoro-2-methylphenyl)-1,3-diazinan-2-one

1-(5-bromo-4-fluoro-2-methylphenyl)-1,3-diazinan-2-one (PubChem CID 107590497) has the molecular formula C11H12BrFN2O and a molecular weight of 287.13 g/mol. Its IUPAC name is 1-(5-bromo-4-fluoro-2-methylphenyl)-1,3-diazinan-2-one.

Molecular Properties

Compound Name1-(5-bromo-4-fluoro-2-methylphenyl)-1,3-diazinan-2-one
PubChem CID107590497
Molecular FormulaC11H12BrFN2O
Molecular Weight287.13 g/mol
Exact Mass286.01
IUPAC Name1-(5-bromo-4-fluoro-2-methylphenyl)-1,3-diazinan-2-one
SMILESCc1cc(F)c(Br)cc1N1CCCNC1=O
InChIInChI=1S/C11H12BrFN2O/c1-7-5-9(13)8(12)6-10(7)15-4-2-3-14-11(15)16/h5-6H,2-4H2,1H3,(H,14,16)
InChIKeyQFWNHUWEYLEKIC-UHFFFAOYSA-N
XLogP2.82
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.13
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(5-bromo-4-fluoro-2-methylphenyl)piperidin-2-one
CID 107592762
1-(5-bromo-2,4-difluorophenyl)imidazolidin-2-one
CID 102855679
1-(5-fluoro-2-methylphenyl)-1,3-diazinan-2-one
CID 115370846
1-(5-bromo-4-fluoro-2-methylphenyl)-1,4-diazepane-2,5-dione
CID 107594341
1-(2-fluoro-4-methylphenyl)-1,3-diazinan-2-one
CID 58845355
1-(5-bromo-4-fluoro-2-methylphenyl)-3-(ethylamino)piperidin-2-one
CID 107594221
7-bromo-8-fluoro-5-methyl-1,2,3,4-tetrahydro-1,5-benzodiazepine
CID 83825733
1-(5-bromo-4-fluoro-2-methylphenyl)-3-methylpiperazine-2,5-dione
CID 107594316
1-(5-bromo-4-fluoro-2-methylphenyl)-3-cyclopropyl-1,4-diazepane-2,5-dione
CID 107594340
10-(5-bromo-4-fluoro-2-methylphenyl)-6,10-diazaspiro[4.6]undecane
CID 107594271
1-(2,3-difluorophenyl)-1,3-diazinan-2-one
CID 115370970
1-[2-fluoro-5-(trifluoromethyl)phenyl]-1,3-diazinan-2-one
CID 113296328

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-4-fluoro-2-methylphenyl)-1,3-diazinan-2-one?
The IUPAC name of 1-(5-bromo-4-fluoro-2-methylphenyl)-1,3-diazinan-2-one (CID 107590497) is 1-(5-bromo-4-fluoro-2-methylphenyl)-1,3-diazinan-2-one.
What is the SMILES notation for 1-(5-bromo-4-fluoro-2-methylphenyl)-1,3-diazinan-2-one?
The canonical SMILES for 1-(5-bromo-4-fluoro-2-methylphenyl)-1,3-diazinan-2-one is Cc1cc(F)c(Br)cc1N1CCCNC1=O.
What is the InChIKey of 1-(5-bromo-4-fluoro-2-methylphenyl)-1,3-diazinan-2-one?
The InChIKey is QFWNHUWEYLEKIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrFN2O/c1-7-5-9(13)8(12)6-10(7)15-4-2-3-14-11(15)16/h5-6H,2-4H2,1H3,(H,14,16).
What are the key properties of 1-(5-bromo-4-fluoro-2-methylphenyl)-1,3-diazinan-2-one?
1-(5-bromo-4-fluoro-2-methylphenyl)-1,3-diazinan-2-one has a molecular weight of 287.13 g/mol, XLogP of 2.82, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-4-fluoro-2-methylphenyl)-1,3-diazinan-2-one is sourced from PubChem (CID 107590497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).