3-(4-fluorophenyl)-1-phenyl-1,3-diazinane-2,4-dione

C16H13FN2O2 — CID 60835786

IUPAC3-(4-fluorophenyl)-1-phenyl-1,3-diazinane-2,4-dione
SMILESO=C1CCN(c2ccccc2)C(=O)N1c1ccc(F)cc1
InChIInChI=1S/C16H13FN2O2/c17-12-6-8-14(9-7-12)19-15(20)10-11-18(16(19)21)13-4-2-1-3-5-13/h1-9H,10-11H2
InChIKeyMIUJUIARCZUQDK-UHFFFAOYSA-N
MW284.29 g/mol
LogP3.19
Rot. Bonds2

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

3-(4-fluorophenyl)-1-phenyl-1,3-diazinane-2,4-dione (PubChem CID 60835786) has the molecular formula C16H13FN2O2 and a molecular weight of 284.29 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-1-phenyl-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name3-(4-fluorophenyl)-1-phenyl-1,3-diazinane-2,4-dione
PubChem CID60835786
Molecular FormulaC16H13FN2O2
Molecular Weight284.29 g/mol
Exact Mass284.10
IUPAC Name3-(4-fluorophenyl)-1-phenyl-1,3-diazinane-2,4-dione
SMILESO=C1CCN(c2ccccc2)C(=O)N1c1ccc(F)cc1
InChIInChI=1S/C16H13FN2O2/c17-12-6-8-14(9-7-12)19-15(20)10-11-18(16(19)21)13-4-2-1-3-5-13/h1-9H,10-11H2
InChIKeyMIUJUIARCZUQDK-UHFFFAOYSA-N
XLogP3.19
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-chlorophenyl)-1-phenyl-1,3-diazinane-2,4-dione
CID 60835623
1-(4-methylphenyl)-3-phenyl-1,3-diazinane-2,4-dione
CID 60837294
3-(2-fluorophenyl)-1-phenyl-1,3-diazinane-2,4-dione
CID 60835787
3-(4-fluorophenyl)-1-propan-2-yl-1,3-diazinane-2,4-dione
CID 2812855
1,3-bis(4-fluorophenyl)-1,3-diazinane-2,4,6-trione
CID 155023000
3-(3-fluorophenyl)-1-phenylimidazolidine-2,4-dione
CID 61030217
3-phenyl-1-propan-2-yl-1,3-diazinane-2,4-dione
CID 2812854
1-phenyl-3-propan-2-yl-1,3-diazinane-2,4-dione
CID 60836275
benzene;ethane;1-(4-fluorophenyl)azetidin-2-one;1-fluoro-4-propylbenzene
CID 170633594
1-(4-fluorophenyl)-5-sulfanylidenepyrrolidin-2-one
CID 155676158
1-benzyl-3-(4-chlorophenyl)-1,3-diazinane-2,4-dione
CID 10734075
1-(4-fluorophenyl)-3-(2-hydroxy-1,3-diphenyl-1,3,2-diazaphospholidin-2-ium-2-yl)pyrrolidine-2,5-dione
CID 134262767

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-1-phenyl-1,3-diazinane-2,4-dione?
The IUPAC name of 3-(4-fluorophenyl)-1-phenyl-1,3-diazinane-2,4-dione (CID 60835786) is 3-(4-fluorophenyl)-1-phenyl-1,3-diazinane-2,4-dione.
What is the SMILES notation for 3-(4-fluorophenyl)-1-phenyl-1,3-diazinane-2,4-dione?
The canonical SMILES for 3-(4-fluorophenyl)-1-phenyl-1,3-diazinane-2,4-dione is O=C1CCN(c2ccccc2)C(=O)N1c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-1-phenyl-1,3-diazinane-2,4-dione?
The InChIKey is MIUJUIARCZUQDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O2/c17-12-6-8-14(9-7-12)19-15(20)10-11-18(16(19)21)13-4-2-1-3-5-13/h1-9H,10-11H2.
What are the key properties of 3-(4-fluorophenyl)-1-phenyl-1,3-diazinane-2,4-dione?
3-(4-fluorophenyl)-1-phenyl-1,3-diazinane-2,4-dione has a molecular weight of 284.29 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-1-phenyl-1,3-diazinane-2,4-dione is sourced from PubChem (CID 60835786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).