6-(2-fluorophenyl)-4-hydroxy-5-(4-methylbenzoyl)-4-(trifluoromethyl)-1,3-diazinan-2-one

C19H16F4N2O3 — CID 5192449

IUPAC6-(2-fluorophenyl)-4-hydroxy-5-(4-methylbenzoyl)-4-(trifluoromethyl)-1,3-diazinan-2-one
SMILESCc1ccc(C(=O)C2C(c3ccccc3F)NC(=O)NC2(O)C(F)(F)F)cc1
InChIInChI=1S/C19H16F4N2O3/c1-10-6-8-11(9-7-10)16(26)14-15(12-4-2-3-5-13(12)20)24-17(27)25-18(14,28)19(21,22)23/h2-9,14-15,28H,1H3,(H2,24,25,27)
InChIKeyFNUFUXVFAHXWNU-UHFFFAOYSA-N
MW396.34 g/mol
LogP3.24
Rot. Bonds3

About 6-(2-fluorophenyl)-4-hydroxy-5-(4-methylbenzoyl)-4-(trifluoromethyl)-1,3-diazinan-2-one

6-(2-fluorophenyl)-4-hydroxy-5-(4-methylbenzoyl)-4-(trifluoromethyl)-1,3-diazinan-2-one (PubChem CID 5192449) has the molecular formula C19H16F4N2O3 and a molecular weight of 396.34 g/mol. Its IUPAC name is 6-(2-fluorophenyl)-4-hydroxy-5-(4-methylbenzoyl)-4-(trifluoromethyl)-1,3-diazinan-2-one.

Molecular Properties

Compound Name6-(2-fluorophenyl)-4-hydroxy-5-(4-methylbenzoyl)-4-(trifluoromethyl)-1,3-diazinan-2-one
PubChem CID5192449
Molecular FormulaC19H16F4N2O3
Molecular Weight396.34 g/mol
Exact Mass396.11
IUPAC Name6-(2-fluorophenyl)-4-hydroxy-5-(4-methylbenzoyl)-4-(trifluoromethyl)-1,3-diazinan-2-one
SMILESCc1ccc(C(=O)C2C(c3ccccc3F)NC(=O)NC2(O)C(F)(F)F)cc1
InChIInChI=1S/C19H16F4N2O3/c1-10-6-8-11(9-7-10)16(26)14-15(12-4-2-3-5-13(12)20)24-17(27)25-18(14,28)19(21,22)23/h2-9,14-15,28H,1H3,(H2,24,25,27)
InChIKeyFNUFUXVFAHXWNU-UHFFFAOYSA-N
XLogP3.24
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.34
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(2-fluorophenyl)-4-hydroxy-5-(4-methylbenzoyl)-4-(trifluoromethyl)-1,3-diazinan-2-one?
The IUPAC name of 6-(2-fluorophenyl)-4-hydroxy-5-(4-methylbenzoyl)-4-(trifluoromethyl)-1,3-diazinan-2-one (CID 5192449) is 6-(2-fluorophenyl)-4-hydroxy-5-(4-methylbenzoyl)-4-(trifluoromethyl)-1,3-diazinan-2-one.
What is the SMILES notation for 6-(2-fluorophenyl)-4-hydroxy-5-(4-methylbenzoyl)-4-(trifluoromethyl)-1,3-diazinan-2-one?
The canonical SMILES for 6-(2-fluorophenyl)-4-hydroxy-5-(4-methylbenzoyl)-4-(trifluoromethyl)-1,3-diazinan-2-one is Cc1ccc(C(=O)C2C(c3ccccc3F)NC(=O)NC2(O)C(F)(F)F)cc1.
What is the InChIKey of 6-(2-fluorophenyl)-4-hydroxy-5-(4-methylbenzoyl)-4-(trifluoromethyl)-1,3-diazinan-2-one?
The InChIKey is FNUFUXVFAHXWNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F4N2O3/c1-10-6-8-11(9-7-10)16(26)14-15(12-4-2-3-5-13(12)20)24-17(27)25-18(14,28)19(21,22)23/h2-9,14-15,28H,1H3,(H2,24,25,27).
What are the key properties of 6-(2-fluorophenyl)-4-hydroxy-5-(4-methylbenzoyl)-4-(trifluoromethyl)-1,3-diazinan-2-one?
6-(2-fluorophenyl)-4-hydroxy-5-(4-methylbenzoyl)-4-(trifluoromethyl)-1,3-diazinan-2-one has a molecular weight of 396.34 g/mol, XLogP of 3.24, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluorophenyl)-4-hydroxy-5-(4-methylbenzoyl)-4-(trifluoromethyl)-1,3-diazinan-2-one is sourced from PubChem (CID 5192449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).