5-benzoyl-4-phenyl-6-(1,1,2,2-tetrafluoroethyl)-3,4-dihydro-1H-pyrimidin-2-one

C19H14F4N2O2 — CID 15517194

IUPAC5-benzoyl-4-phenyl-6-(1,1,2,2-tetrafluoroethyl)-3,4-dihydro-1H-pyrimidin-2-one
SMILESO=C1NC(C(F)(F)C(F)F)=C(C(=O)c2ccccc2)C(c2ccccc2)N1
InChIInChI=1S/C19H14F4N2O2/c20-17(21)19(22,23)16-13(15(26)12-9-5-2-6-10-12)14(24-18(27)25-16)11-7-3-1-4-8-11/h1-10,14,17H,(H2,24,25,27)
InChIKeyYFEWKMFCKSHOSM-UHFFFAOYSA-N
MW378.33 g/mol
LogP4.08
Rot. Bonds5

About 5-benzoyl-4-phenyl-6-(1,1,2,2-tetrafluoroethyl)-3,4-dihydro-1H-pyrimidin-2-one

5-benzoyl-4-phenyl-6-(1,1,2,2-tetrafluoroethyl)-3,4-dihydro-1H-pyrimidin-2-one (PubChem CID 15517194) has the molecular formula C19H14F4N2O2 and a molecular weight of 378.33 g/mol. Its IUPAC name is 5-benzoyl-4-phenyl-6-(1,1,2,2-tetrafluoroethyl)-3,4-dihydro-1H-pyrimidin-2-one.

Molecular Properties

Compound Name5-benzoyl-4-phenyl-6-(1,1,2,2-tetrafluoroethyl)-3,4-dihydro-1H-pyrimidin-2-one
PubChem CID15517194
Molecular FormulaC19H14F4N2O2
Molecular Weight378.33 g/mol
Exact Mass378.10
IUPAC Name5-benzoyl-4-phenyl-6-(1,1,2,2-tetrafluoroethyl)-3,4-dihydro-1H-pyrimidin-2-one
SMILESO=C1NC(C(F)(F)C(F)F)=C(C(=O)c2ccccc2)C(c2ccccc2)N1
InChIInChI=1S/C19H14F4N2O2/c20-17(21)19(22,23)16-13(15(26)12-9-5-2-6-10-12)14(24-18(27)25-16)11-7-3-1-4-8-11/h1-10,14,17H,(H2,24,25,27)
InChIKeyYFEWKMFCKSHOSM-UHFFFAOYSA-N
XLogP4.08
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.33
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 5-benzoyl-4-phenyl-6-(1,1,2,2-tetrafluoroethyl)-3,4-dihydro-1H-pyrimidin-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 5-benzoyl-4-phenyl-6-(1,1,2,2-tetrafluoroethyl)-3,4-dihydro-1H-pyrimidin-2-one?
The IUPAC name of 5-benzoyl-4-phenyl-6-(1,1,2,2-tetrafluoroethyl)-3,4-dihydro-1H-pyrimidin-2-one (CID 15517194) is 5-benzoyl-4-phenyl-6-(1,1,2,2-tetrafluoroethyl)-3,4-dihydro-1H-pyrimidin-2-one.
What is the SMILES notation for 5-benzoyl-4-phenyl-6-(1,1,2,2-tetrafluoroethyl)-3,4-dihydro-1H-pyrimidin-2-one?
The canonical SMILES for 5-benzoyl-4-phenyl-6-(1,1,2,2-tetrafluoroethyl)-3,4-dihydro-1H-pyrimidin-2-one is O=C1NC(C(F)(F)C(F)F)=C(C(=O)c2ccccc2)C(c2ccccc2)N1.
What is the InChIKey of 5-benzoyl-4-phenyl-6-(1,1,2,2-tetrafluoroethyl)-3,4-dihydro-1H-pyrimidin-2-one?
The InChIKey is YFEWKMFCKSHOSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F4N2O2/c20-17(21)19(22,23)16-13(15(26)12-9-5-2-6-10-12)14(24-18(27)25-16)11-7-3-1-4-8-11/h1-10,14,17H,(H2,24,25,27).
What are the key properties of 5-benzoyl-4-phenyl-6-(1,1,2,2-tetrafluoroethyl)-3,4-dihydro-1H-pyrimidin-2-one?
5-benzoyl-4-phenyl-6-(1,1,2,2-tetrafluoroethyl)-3,4-dihydro-1H-pyrimidin-2-one has a molecular weight of 378.33 g/mol, XLogP of 4.08, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzoyl-4-phenyl-6-(1,1,2,2-tetrafluoroethyl)-3,4-dihydro-1H-pyrimidin-2-one is sourced from PubChem (CID 15517194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).