ethane;1-(2-fluoro-5-methylphenyl)-1,3-diazinane-2,4-dione

C13H17FN2O2 — CID 167474708

IUPACethane;1-(2-fluoro-5-methylphenyl)-1,3-diazinane-2,4-dione
SMILESCC.Cc1ccc(F)c(N2CCC(=O)NC2=O)c1
InChIInChI=1S/C11H11FN2O2.C2H6/c1-7-2-3-8(12)9(6-7)14-5-4-10(15)13-11(14)16;1-2/h2-3,6H,4-5H2,1H3,(H,13,15,16);1-2H3
InChIKeyWJRCLCPILFIJGL-UHFFFAOYSA-N
MW252.29 g/mol
LogP2.61
Rot. Bonds1

About ethane;1-(2-fluoro-5-methylphenyl)-1,3-diazinane-2,4-dione

ethane;1-(2-fluoro-5-methylphenyl)-1,3-diazinane-2,4-dione (PubChem CID 167474708) has the molecular formula C13H17FN2O2 and a molecular weight of 252.29 g/mol. Its IUPAC name is ethane;1-(2-fluoro-5-methylphenyl)-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Nameethane;1-(2-fluoro-5-methylphenyl)-1,3-diazinane-2,4-dione
PubChem CID167474708
Molecular FormulaC13H17FN2O2
Molecular Weight252.29 g/mol
Exact Mass252.13
IUPAC Nameethane;1-(2-fluoro-5-methylphenyl)-1,3-diazinane-2,4-dione
SMILESCC.Cc1ccc(F)c(N2CCC(=O)NC2=O)c1
InChIInChI=1S/C11H11FN2O2.C2H6/c1-7-2-3-8(12)9(6-7)14-5-4-10(15)13-11(14)16;1-2/h2-3,6H,4-5H2,1H3,(H,13,15,16);1-2H3
InChIKeyWJRCLCPILFIJGL-UHFFFAOYSA-N
XLogP2.61
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(6-fluoro-1-methylindol-5-yl)-1,3-diazinane-2,4-dione
CID 176563503
1-(1,6-dimethylindol-3-yl)-1,3-diazinane-2,4-dione
CID 154953984
1-(2-fluoro-5-methylphenyl)-3,3-dimethylpiperazine-2,5-dione
CID 64960006
1-(5-fluoro-1H-indol-6-yl)-1,3-diazinane-2,4-dione
CID 163231265
5-(2,4-dioxo-1,3-diazinan-1-yl)-2-fluoro-4-methylbenzaldehyde;methanol
CID 156707032
1-(5-amino-2-methylphenyl)-1,3-diazinane-2,4-dione;hydrochloride
CID 171705611
1-(5-bromo-2-methylphenyl)-1,3-diazinane-2,4-dione
CID 79777830
1-(3-amino-4-fluorophenyl)-1,3-diazinane-2,4-dione;hydrochloride
CID 170914337
1-(2-fluoro-5-methylphenyl)-3-methylpiperazin-2-one
CID 24716104
7-bromo-8-fluoro-5-(4-methylphenyl)-3,4-dihydro-1H-1,5-benzodiazepin-2-one
CID 116739781
2-(2,4-dioxo-1,3-diazinan-1-yl)-4-fluorobenzoic acid
CID 175752209
3-tert-butyl-1-(2-fluoro-5-methylphenyl)piperazine-2,5-dione
CID 64959864

Frequently Asked Questions

What is the IUPAC name of ethane;1-(2-fluoro-5-methylphenyl)-1,3-diazinane-2,4-dione?
The IUPAC name of ethane;1-(2-fluoro-5-methylphenyl)-1,3-diazinane-2,4-dione (CID 167474708) is ethane;1-(2-fluoro-5-methylphenyl)-1,3-diazinane-2,4-dione.
What is the SMILES notation for ethane;1-(2-fluoro-5-methylphenyl)-1,3-diazinane-2,4-dione?
The canonical SMILES for ethane;1-(2-fluoro-5-methylphenyl)-1,3-diazinane-2,4-dione is CC.Cc1ccc(F)c(N2CCC(=O)NC2=O)c1.
What is the InChIKey of ethane;1-(2-fluoro-5-methylphenyl)-1,3-diazinane-2,4-dione?
The InChIKey is WJRCLCPILFIJGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O2.C2H6/c1-7-2-3-8(12)9(6-7)14-5-4-10(15)13-11(14)16;1-2/h2-3,6H,4-5H2,1H3,(H,13,15,16);1-2H3.
What are the key properties of ethane;1-(2-fluoro-5-methylphenyl)-1,3-diazinane-2,4-dione?
ethane;1-(2-fluoro-5-methylphenyl)-1,3-diazinane-2,4-dione has a molecular weight of 252.29 g/mol, XLogP of 2.61, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(2-fluoro-5-methylphenyl)-1,3-diazinane-2,4-dione is sourced from PubChem (CID 167474708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).