6-(1,3-benzodioxol-5-yl)-5-benzoyl-4-hydroxy-4-(trifluoromethyl)-1,3-diazinan-2-one

C19H15F3N2O5 — CID 2918386

IUPAC6-(1,3-benzodioxol-5-yl)-5-benzoyl-4-hydroxy-4-(trifluoromethyl)-1,3-diazinan-2-one
SMILESO=C1NC(c2ccc3c(c2)OCO3)C(C(=O)c2ccccc2)C(O)(C(F)(F)F)N1
InChIInChI=1S/C19H15F3N2O5/c20-19(21,22)18(27)14(16(25)10-4-2-1-3-5-10)15(23-17(26)24-18)11-6-7-12-13(8-11)29-9-28-12/h1-8,14-15,27H,9H2,(H2,23,24,26)
InChIKeyQVGNNPYQHRKFLA-UHFFFAOYSA-N
MW408.33 g/mol
LogP2.52
Rot. Bonds3

About 6-(1,3-benzodioxol-5-yl)-5-benzoyl-4-hydroxy-4-(trifluoromethyl)-1,3-diazinan-2-one

6-(1,3-benzodioxol-5-yl)-5-benzoyl-4-hydroxy-4-(trifluoromethyl)-1,3-diazinan-2-one (PubChem CID 2918386) has the molecular formula C19H15F3N2O5 and a molecular weight of 408.33 g/mol. Its IUPAC name is 6-(1,3-benzodioxol-5-yl)-5-benzoyl-4-hydroxy-4-(trifluoromethyl)-1,3-diazinan-2-one.

Molecular Properties

Compound Name6-(1,3-benzodioxol-5-yl)-5-benzoyl-4-hydroxy-4-(trifluoromethyl)-1,3-diazinan-2-one
PubChem CID2918386
Molecular FormulaC19H15F3N2O5
Molecular Weight408.33 g/mol
Exact Mass408.09
IUPAC Name6-(1,3-benzodioxol-5-yl)-5-benzoyl-4-hydroxy-4-(trifluoromethyl)-1,3-diazinan-2-one
SMILESO=C1NC(c2ccc3c(c2)OCO3)C(C(=O)c2ccccc2)C(O)(C(F)(F)F)N1
InChIInChI=1S/C19H15F3N2O5/c20-19(21,22)18(27)14(16(25)10-4-2-1-3-5-10)15(23-17(26)24-18)11-6-7-12-13(8-11)29-9-28-12/h1-8,14-15,27H,9H2,(H2,23,24,26)
InChIKeyQVGNNPYQHRKFLA-UHFFFAOYSA-N
XLogP2.52
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.33
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 6-(1,3-benzodioxol-5-yl)-5-benzoyl-4-hydroxy-4-(trifluoromethyl)-1,3-diazinan-2-one 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 6-(1,3-benzodioxol-5-yl)-5-benzoyl-4-hydroxy-4-(trifluoromethyl)-1,3-diazinan-2-one?
The IUPAC name of 6-(1,3-benzodioxol-5-yl)-5-benzoyl-4-hydroxy-4-(trifluoromethyl)-1,3-diazinan-2-one (CID 2918386) is 6-(1,3-benzodioxol-5-yl)-5-benzoyl-4-hydroxy-4-(trifluoromethyl)-1,3-diazinan-2-one.
What is the SMILES notation for 6-(1,3-benzodioxol-5-yl)-5-benzoyl-4-hydroxy-4-(trifluoromethyl)-1,3-diazinan-2-one?
The canonical SMILES for 6-(1,3-benzodioxol-5-yl)-5-benzoyl-4-hydroxy-4-(trifluoromethyl)-1,3-diazinan-2-one is O=C1NC(c2ccc3c(c2)OCO3)C(C(=O)c2ccccc2)C(O)(C(F)(F)F)N1.
What is the InChIKey of 6-(1,3-benzodioxol-5-yl)-5-benzoyl-4-hydroxy-4-(trifluoromethyl)-1,3-diazinan-2-one?
The InChIKey is QVGNNPYQHRKFLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N2O5/c20-19(21,22)18(27)14(16(25)10-4-2-1-3-5-10)15(23-17(26)24-18)11-6-7-12-13(8-11)29-9-28-12/h1-8,14-15,27H,9H2,(H2,23,24,26).
What are the key properties of 6-(1,3-benzodioxol-5-yl)-5-benzoyl-4-hydroxy-4-(trifluoromethyl)-1,3-diazinan-2-one?
6-(1,3-benzodioxol-5-yl)-5-benzoyl-4-hydroxy-4-(trifluoromethyl)-1,3-diazinan-2-one has a molecular weight of 408.33 g/mol, XLogP of 2.52, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-benzodioxol-5-yl)-5-benzoyl-4-hydroxy-4-(trifluoromethyl)-1,3-diazinan-2-one is sourced from PubChem (CID 2918386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).