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

C12H13FN2O2 — CID 65221909

IUPAC5-ethyl-3-(3-fluorophenyl)-1,3-diazinane-2,4-dione
SMILESCCC1CNC(=O)N(c2cccc(F)c2)C1=O
InChIInChI=1S/C12H13FN2O2/c1-2-8-7-14-12(17)15(11(8)16)10-5-3-4-9(13)6-10/h3-6,8H,2,7H2,1H3,(H,14,17)
InChIKeyWGAVJZNRMZGLTG-UHFFFAOYSA-N
MW236.25 g/mol
LogP1.91
Rot. Bonds2

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

5-ethyl-3-(3-fluorophenyl)-1,3-diazinane-2,4-dione (PubChem CID 65221909) has the molecular formula C12H13FN2O2 and a molecular weight of 236.25 g/mol. Its IUPAC name is 5-ethyl-3-(3-fluorophenyl)-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name5-ethyl-3-(3-fluorophenyl)-1,3-diazinane-2,4-dione
PubChem CID65221909
Molecular FormulaC12H13FN2O2
Molecular Weight236.25 g/mol
Exact Mass236.10
IUPAC Name5-ethyl-3-(3-fluorophenyl)-1,3-diazinane-2,4-dione
SMILESCCC1CNC(=O)N(c2cccc(F)c2)C1=O
InChIInChI=1S/C12H13FN2O2/c1-2-8-7-14-12(17)15(11(8)16)10-5-3-4-9(13)6-10/h3-6,8H,2,7H2,1H3,(H,14,17)
InChIKeyWGAVJZNRMZGLTG-UHFFFAOYSA-N
XLogP1.91
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.25
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-ethyl-3-(3-fluorophenyl)-1,3-diazinane-2,4-dione 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

3-(3-fluorophenyl)-6-methyl-1,3-diazepane-2,4-dione
CID 81070455
3-[3-(aminomethyl)phenyl]-5-propyl-1,3-diazinane-2,4-dione
CID 80578813
5-ethyl-3-(4-nitrophenyl)-1,3-diazinane-2,4-dione
CID 65222260
4-ethyl-7-fluoro-3,4-dihydro-2H-isoquinolin-1-one
CID 82125678
3-(3-aminophenyl)-6-ethyl-1,3-diazepane-2,4-dione
CID 81071639
5-ethyl-2-(3-fluorophenyl)pyrazolidin-3-one
CID 105461642
3,3-diethyl-1-(3-fluorophenyl)piperazine-2,5-dione
CID 64955543
1-(3-fluorophenyl)-3-(2-pyridin-4-ylethylamino)pyrrolidine-2,5-dione
CID 3962498
1-(3-fluorophenyl)piperidine-2,6-dione
CID 82077412
2-(3-fluorophenyl)-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione
CID 2933748
3-(3-fluorophenyl)-5-hydroxy-1-methylimidazolidine-2,4-dione
CID 19846702
(1R,2R,6S,7S,8S,10R)-4-(3-fluorophenyl)-4-azatetracyclo[5.3.2.02,6.08,10]dodecane-3,5-dione
CID 68542080

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-(3-fluorophenyl)-1,3-diazinane-2,4-dione?
The IUPAC name of 5-ethyl-3-(3-fluorophenyl)-1,3-diazinane-2,4-dione (CID 65221909) is 5-ethyl-3-(3-fluorophenyl)-1,3-diazinane-2,4-dione.
What is the SMILES notation for 5-ethyl-3-(3-fluorophenyl)-1,3-diazinane-2,4-dione?
The canonical SMILES for 5-ethyl-3-(3-fluorophenyl)-1,3-diazinane-2,4-dione is CCC1CNC(=O)N(c2cccc(F)c2)C1=O.
What is the InChIKey of 5-ethyl-3-(3-fluorophenyl)-1,3-diazinane-2,4-dione?
The InChIKey is WGAVJZNRMZGLTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O2/c1-2-8-7-14-12(17)15(11(8)16)10-5-3-4-9(13)6-10/h3-6,8H,2,7H2,1H3,(H,14,17).
What are the key properties of 5-ethyl-3-(3-fluorophenyl)-1,3-diazinane-2,4-dione?
5-ethyl-3-(3-fluorophenyl)-1,3-diazinane-2,4-dione has a molecular weight of 236.25 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-(3-fluorophenyl)-1,3-diazinane-2,4-dione is sourced from PubChem (CID 65221909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).