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

C16H13F3N2O4 — CID 4226946

IUPAC5-benzoyl-6-(furan-2-yl)-4-hydroxy-4-(trifluoromethyl)-1,3-diazinan-2-one
SMILESO=C1NC(c2ccco2)C(C(=O)c2ccccc2)C(O)(C(F)(F)F)N1
InChIInChI=1S/C16H13F3N2O4/c17-16(18,19)15(24)11(13(22)9-5-2-1-3-6-9)12(20-14(23)21-15)10-7-4-8-25-10/h1-8,11-12,24H,(H2,20,21,23)
InChIKeyYWXNNJCVKBLFST-UHFFFAOYSA-N
MW354.28 g/mol
LogP2.38
Rot. Bonds3

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

5-benzoyl-6-(furan-2-yl)-4-hydroxy-4-(trifluoromethyl)-1,3-diazinan-2-one (PubChem CID 4226946) has the molecular formula C16H13F3N2O4 and a molecular weight of 354.28 g/mol. Its IUPAC name is 5-benzoyl-6-(furan-2-yl)-4-hydroxy-4-(trifluoromethyl)-1,3-diazinan-2-one.

Molecular Properties

Compound Name5-benzoyl-6-(furan-2-yl)-4-hydroxy-4-(trifluoromethyl)-1,3-diazinan-2-one
PubChem CID4226946
Molecular FormulaC16H13F3N2O4
Molecular Weight354.28 g/mol
Exact Mass354.08
IUPAC Name5-benzoyl-6-(furan-2-yl)-4-hydroxy-4-(trifluoromethyl)-1,3-diazinan-2-one
SMILESO=C1NC(c2ccco2)C(C(=O)c2ccccc2)C(O)(C(F)(F)F)N1
InChIInChI=1S/C16H13F3N2O4/c17-16(18,19)15(24)11(13(22)9-5-2-1-3-6-9)12(20-14(23)21-15)10-7-4-8-25-10/h1-8,11-12,24H,(H2,20,21,23)
InChIKeyYWXNNJCVKBLFST-UHFFFAOYSA-N
XLogP2.38
TPSA91.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.28
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-benzoyl-6-(furan-2-yl)-4-hydroxy-4-(trifluoromethyl)-1,3-diazinan-2-one?
The IUPAC name of 5-benzoyl-6-(furan-2-yl)-4-hydroxy-4-(trifluoromethyl)-1,3-diazinan-2-one (CID 4226946) is 5-benzoyl-6-(furan-2-yl)-4-hydroxy-4-(trifluoromethyl)-1,3-diazinan-2-one.
What is the SMILES notation for 5-benzoyl-6-(furan-2-yl)-4-hydroxy-4-(trifluoromethyl)-1,3-diazinan-2-one?
The canonical SMILES for 5-benzoyl-6-(furan-2-yl)-4-hydroxy-4-(trifluoromethyl)-1,3-diazinan-2-one is O=C1NC(c2ccco2)C(C(=O)c2ccccc2)C(O)(C(F)(F)F)N1.
What is the InChIKey of 5-benzoyl-6-(furan-2-yl)-4-hydroxy-4-(trifluoromethyl)-1,3-diazinan-2-one?
The InChIKey is YWXNNJCVKBLFST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N2O4/c17-16(18,19)15(24)11(13(22)9-5-2-1-3-6-9)12(20-14(23)21-15)10-7-4-8-25-10/h1-8,11-12,24H,(H2,20,21,23).
What are the key properties of 5-benzoyl-6-(furan-2-yl)-4-hydroxy-4-(trifluoromethyl)-1,3-diazinan-2-one?
5-benzoyl-6-(furan-2-yl)-4-hydroxy-4-(trifluoromethyl)-1,3-diazinan-2-one has a molecular weight of 354.28 g/mol, XLogP of 2.38, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzoyl-6-(furan-2-yl)-4-hydroxy-4-(trifluoromethyl)-1,3-diazinan-2-one is sourced from PubChem (CID 4226946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).