3-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-1,3-diazinane-2,4-dione

C12H13FN2O3 — CID 58122339

IUPAC3-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-1,3-diazinane-2,4-dione
SMILESCN1CC(O)C(=O)N(Cc2ccc(F)cc2)C1=O
InChIInChI=1S/C12H13FN2O3/c1-14-7-10(16)11(17)15(12(14)18)6-8-2-4-9(13)5-3-8/h2-5,10,16H,6-7H2,1H3
InChIKeyNFGGUHZJVKBLMF-UHFFFAOYSA-N
MW252.25 g/mol
LogP0.58
Rot. Bonds2

About 3-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-1,3-diazinane-2,4-dione

3-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-1,3-diazinane-2,4-dione (PubChem CID 58122339) has the molecular formula C12H13FN2O3 and a molecular weight of 252.25 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-1,3-diazinane-2,4-dione
PubChem CID58122339
Molecular FormulaC12H13FN2O3
Molecular Weight252.25 g/mol
Exact Mass252.09
IUPAC Name3-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-1,3-diazinane-2,4-dione
SMILESCN1CC(O)C(=O)N(Cc2ccc(F)cc2)C1=O
InChIInChI=1S/C12H13FN2O3/c1-14-7-10(16)11(17)15(12(14)18)6-8-2-4-9(13)5-3-8/h2-5,10,16H,6-7H2,1H3
InChIKeyNFGGUHZJVKBLMF-UHFFFAOYSA-N
XLogP0.58
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.25
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-1,3-diazinane-2,4-dione?
The IUPAC name of 3-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-1,3-diazinane-2,4-dione (CID 58122339) is 3-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-1,3-diazinane-2,4-dione.
What is the SMILES notation for 3-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-1,3-diazinane-2,4-dione?
The canonical SMILES for 3-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-1,3-diazinane-2,4-dione is CN1CC(O)C(=O)N(Cc2ccc(F)cc2)C1=O.
What is the InChIKey of 3-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-1,3-diazinane-2,4-dione?
The InChIKey is NFGGUHZJVKBLMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O3/c1-14-7-10(16)11(17)15(12(14)18)6-8-2-4-9(13)5-3-8/h2-5,10,16H,6-7H2,1H3.
What are the key properties of 3-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-1,3-diazinane-2,4-dione?
3-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-1,3-diazinane-2,4-dione has a molecular weight of 252.25 g/mol, XLogP of 0.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-1,3-diazinane-2,4-dione is sourced from PubChem (CID 58122339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).