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

C14H17FN2O3 — CID 91568995

IUPAC3-[(4-fluorophenyl)methyl]-5-hydroxy-1-propyl-1,3-diazinane-2,4-dione
SMILESCCCN1CC(O)C(=O)N(Cc2ccc(F)cc2)C1=O
InChIInChI=1S/C14H17FN2O3/c1-2-7-16-9-12(18)13(19)17(14(16)20)8-10-3-5-11(15)6-4-10/h3-6,12,18H,2,7-9H2,1H3
InChIKeyAIKUJXVXVBGBLG-UHFFFAOYSA-N
MW280.30 g/mol
LogP1.36
Rot. Bonds4

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

3-[(4-fluorophenyl)methyl]-5-hydroxy-1-propyl-1,3-diazinane-2,4-dione (PubChem CID 91568995) has the molecular formula C14H17FN2O3 and a molecular weight of 280.30 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methyl]-5-hydroxy-1-propyl-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methyl]-5-hydroxy-1-propyl-1,3-diazinane-2,4-dione
PubChem CID91568995
Molecular FormulaC14H17FN2O3
Molecular Weight280.30 g/mol
Exact Mass280.12
IUPAC Name3-[(4-fluorophenyl)methyl]-5-hydroxy-1-propyl-1,3-diazinane-2,4-dione
SMILESCCCN1CC(O)C(=O)N(Cc2ccc(F)cc2)C1=O
InChIInChI=1S/C14H17FN2O3/c1-2-7-16-9-12(18)13(19)17(14(16)20)8-10-3-5-11(15)6-4-10/h3-6,12,18H,2,7-9H2,1H3
InChIKeyAIKUJXVXVBGBLG-UHFFFAOYSA-N
XLogP1.36
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[(4-fluorophenyl)methyl]-5-hydroxy-1-propyl-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

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methyl]-5-hydroxy-1-propyl-1,3-diazinane-2,4-dione?
The IUPAC name of 3-[(4-fluorophenyl)methyl]-5-hydroxy-1-propyl-1,3-diazinane-2,4-dione (CID 91568995) is 3-[(4-fluorophenyl)methyl]-5-hydroxy-1-propyl-1,3-diazinane-2,4-dione.
What is the SMILES notation for 3-[(4-fluorophenyl)methyl]-5-hydroxy-1-propyl-1,3-diazinane-2,4-dione?
The canonical SMILES for 3-[(4-fluorophenyl)methyl]-5-hydroxy-1-propyl-1,3-diazinane-2,4-dione is CCCN1CC(O)C(=O)N(Cc2ccc(F)cc2)C1=O.
What is the InChIKey of 3-[(4-fluorophenyl)methyl]-5-hydroxy-1-propyl-1,3-diazinane-2,4-dione?
The InChIKey is AIKUJXVXVBGBLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O3/c1-2-7-16-9-12(18)13(19)17(14(16)20)8-10-3-5-11(15)6-4-10/h3-6,12,18H,2,7-9H2,1H3.
What are the key properties of 3-[(4-fluorophenyl)methyl]-5-hydroxy-1-propyl-1,3-diazinane-2,4-dione?
3-[(4-fluorophenyl)methyl]-5-hydroxy-1-propyl-1,3-diazinane-2,4-dione has a molecular weight of 280.30 g/mol, XLogP of 1.36, 4 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-propyl-1,3-diazinane-2,4-dione is sourced from PubChem (CID 91568995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).