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

C11H10BrFN2O2 — CID 79777988

IUPAC1-(4-bromo-2-fluorophenyl)-5-methyl-1,3-diazinane-2,4-dione
SMILESCC1CN(c2ccc(Br)cc2F)C(=O)NC1=O
InChIInChI=1S/C11H10BrFN2O2/c1-6-5-15(11(17)14-10(6)16)9-3-2-7(12)4-8(9)13/h2-4,6H,5H2,1H3,(H,14,16,17)
InChIKeyMLZBKCHCOPXIMM-UHFFFAOYSA-N
MW301.12 g/mol
LogP2.28
Rot. Bonds1

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

1-(4-bromo-2-fluorophenyl)-5-methyl-1,3-diazinane-2,4-dione (PubChem CID 79777988) has the molecular formula C11H10BrFN2O2 and a molecular weight of 301.12 g/mol. Its IUPAC name is 1-(4-bromo-2-fluorophenyl)-5-methyl-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-(4-bromo-2-fluorophenyl)-5-methyl-1,3-diazinane-2,4-dione
PubChem CID79777988
Molecular FormulaC11H10BrFN2O2
Molecular Weight301.12 g/mol
Exact Mass299.99
IUPAC Name1-(4-bromo-2-fluorophenyl)-5-methyl-1,3-diazinane-2,4-dione
SMILESCC1CN(c2ccc(Br)cc2F)C(=O)NC1=O
InChIInChI=1S/C11H10BrFN2O2/c1-6-5-15(11(17)14-10(6)16)9-3-2-7(12)4-8(9)13/h2-4,6H,5H2,1H3,(H,14,16,17)
InChIKeyMLZBKCHCOPXIMM-UHFFFAOYSA-N
XLogP2.28
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.12
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-fluorophenyl)-5-methyl-1,3-diazinane-2,4-dione?
The IUPAC name of 1-(4-bromo-2-fluorophenyl)-5-methyl-1,3-diazinane-2,4-dione (CID 79777988) is 1-(4-bromo-2-fluorophenyl)-5-methyl-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-(4-bromo-2-fluorophenyl)-5-methyl-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-(4-bromo-2-fluorophenyl)-5-methyl-1,3-diazinane-2,4-dione is CC1CN(c2ccc(Br)cc2F)C(=O)NC1=O.
What is the InChIKey of 1-(4-bromo-2-fluorophenyl)-5-methyl-1,3-diazinane-2,4-dione?
The InChIKey is MLZBKCHCOPXIMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrFN2O2/c1-6-5-15(11(17)14-10(6)16)9-3-2-7(12)4-8(9)13/h2-4,6H,5H2,1H3,(H,14,16,17).
What are the key properties of 1-(4-bromo-2-fluorophenyl)-5-methyl-1,3-diazinane-2,4-dione?
1-(4-bromo-2-fluorophenyl)-5-methyl-1,3-diazinane-2,4-dione has a molecular weight of 301.12 g/mol, XLogP of 2.28, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-fluorophenyl)-5-methyl-1,3-diazinane-2,4-dione is sourced from PubChem (CID 79777988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).