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

C18H15F3N2O3 — CID 5186089

IUPAC5-benzoyl-4-hydroxy-6-phenyl-4-(trifluoromethyl)-1,3-diazinan-2-one
SMILESO=C1NC(c2ccccc2)C(C(=O)c2ccccc2)C(O)(C(F)(F)F)N1
InChIInChI=1S/C18H15F3N2O3/c19-18(20,21)17(26)13(15(24)12-9-5-2-6-10-12)14(22-16(25)23-17)11-7-3-1-4-8-11/h1-10,13-14,26H,(H2,22,23,25)
InChIKeyUOIWGJQFFMKHKC-UHFFFAOYSA-N
MW364.32 g/mol
LogP2.79
Rot. Bonds3

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

5-benzoyl-4-hydroxy-6-phenyl-4-(trifluoromethyl)-1,3-diazinan-2-one (PubChem CID 5186089) has the molecular formula C18H15F3N2O3 and a molecular weight of 364.32 g/mol. Its IUPAC name is 5-benzoyl-4-hydroxy-6-phenyl-4-(trifluoromethyl)-1,3-diazinan-2-one.

Molecular Properties

Compound Name5-benzoyl-4-hydroxy-6-phenyl-4-(trifluoromethyl)-1,3-diazinan-2-one
PubChem CID5186089
Molecular FormulaC18H15F3N2O3
Molecular Weight364.32 g/mol
Exact Mass364.10
IUPAC Name5-benzoyl-4-hydroxy-6-phenyl-4-(trifluoromethyl)-1,3-diazinan-2-one
SMILESO=C1NC(c2ccccc2)C(C(=O)c2ccccc2)C(O)(C(F)(F)F)N1
InChIInChI=1S/C18H15F3N2O3/c19-18(20,21)17(26)13(15(24)12-9-5-2-6-10-12)14(22-16(25)23-17)11-7-3-1-4-8-11/h1-10,13-14,26H,(H2,22,23,25)
InChIKeyUOIWGJQFFMKHKC-UHFFFAOYSA-N
XLogP2.79
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.32
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-benzoyl-4-hydroxy-6-phenyl-4-(trifluoromethyl)-1,3-diazinan-2-one?
The IUPAC name of 5-benzoyl-4-hydroxy-6-phenyl-4-(trifluoromethyl)-1,3-diazinan-2-one (CID 5186089) is 5-benzoyl-4-hydroxy-6-phenyl-4-(trifluoromethyl)-1,3-diazinan-2-one.
What is the SMILES notation for 5-benzoyl-4-hydroxy-6-phenyl-4-(trifluoromethyl)-1,3-diazinan-2-one?
The canonical SMILES for 5-benzoyl-4-hydroxy-6-phenyl-4-(trifluoromethyl)-1,3-diazinan-2-one is O=C1NC(c2ccccc2)C(C(=O)c2ccccc2)C(O)(C(F)(F)F)N1.
What is the InChIKey of 5-benzoyl-4-hydroxy-6-phenyl-4-(trifluoromethyl)-1,3-diazinan-2-one?
The InChIKey is UOIWGJQFFMKHKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N2O3/c19-18(20,21)17(26)13(15(24)12-9-5-2-6-10-12)14(22-16(25)23-17)11-7-3-1-4-8-11/h1-10,13-14,26H,(H2,22,23,25).
What are the key properties of 5-benzoyl-4-hydroxy-6-phenyl-4-(trifluoromethyl)-1,3-diazinan-2-one?
5-benzoyl-4-hydroxy-6-phenyl-4-(trifluoromethyl)-1,3-diazinan-2-one has a molecular weight of 364.32 g/mol, XLogP of 2.79, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzoyl-4-hydroxy-6-phenyl-4-(trifluoromethyl)-1,3-diazinan-2-one is sourced from PubChem (CID 5186089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).