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

C20H19F3N2O5 — CID 4081553

IUPAC5-benzoyl-6-(3,4-dimethoxyphenyl)-4-hydroxy-4-(trifluoromethyl)-1,3-diazinan-2-one
SMILESCOc1ccc(C2NC(=O)NC(O)(C(F)(F)F)C2C(=O)c2ccccc2)cc1OC
InChIInChI=1S/C20H19F3N2O5/c1-29-13-9-8-12(10-14(13)30-2)16-15(17(26)11-6-4-3-5-7-11)19(28,20(21,22)23)25-18(27)24-16/h3-10,15-16,28H,1-2H3,(H2,24,25,27)
InChIKeyAVZHFFQLDMDZCV-UHFFFAOYSA-N
MW424.38 g/mol
LogP2.81
Rot. Bonds5

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

5-benzoyl-6-(3,4-dimethoxyphenyl)-4-hydroxy-4-(trifluoromethyl)-1,3-diazinan-2-one (PubChem CID 4081553) has the molecular formula C20H19F3N2O5 and a molecular weight of 424.38 g/mol. Its IUPAC name is 5-benzoyl-6-(3,4-dimethoxyphenyl)-4-hydroxy-4-(trifluoromethyl)-1,3-diazinan-2-one.

Molecular Properties

Compound Name5-benzoyl-6-(3,4-dimethoxyphenyl)-4-hydroxy-4-(trifluoromethyl)-1,3-diazinan-2-one
PubChem CID4081553
Molecular FormulaC20H19F3N2O5
Molecular Weight424.38 g/mol
Exact Mass424.12
IUPAC Name5-benzoyl-6-(3,4-dimethoxyphenyl)-4-hydroxy-4-(trifluoromethyl)-1,3-diazinan-2-one
SMILESCOc1ccc(C2NC(=O)NC(O)(C(F)(F)F)C2C(=O)c2ccccc2)cc1OC
InChIInChI=1S/C20H19F3N2O5/c1-29-13-9-8-12(10-14(13)30-2)16-15(17(26)11-6-4-3-5-7-11)19(28,20(21,22)23)25-18(27)24-16/h3-10,15-16,28H,1-2H3,(H2,24,25,27)
InChIKeyAVZHFFQLDMDZCV-UHFFFAOYSA-N
XLogP2.81
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.38
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-benzoyl-6-(3,4-dimethoxyphenyl)-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 5-benzoyl-6-(3,4-dimethoxyphenyl)-4-hydroxy-4-(trifluoromethyl)-1,3-diazinan-2-one?
The IUPAC name of 5-benzoyl-6-(3,4-dimethoxyphenyl)-4-hydroxy-4-(trifluoromethyl)-1,3-diazinan-2-one (CID 4081553) is 5-benzoyl-6-(3,4-dimethoxyphenyl)-4-hydroxy-4-(trifluoromethyl)-1,3-diazinan-2-one.
What is the SMILES notation for 5-benzoyl-6-(3,4-dimethoxyphenyl)-4-hydroxy-4-(trifluoromethyl)-1,3-diazinan-2-one?
The canonical SMILES for 5-benzoyl-6-(3,4-dimethoxyphenyl)-4-hydroxy-4-(trifluoromethyl)-1,3-diazinan-2-one is COc1ccc(C2NC(=O)NC(O)(C(F)(F)F)C2C(=O)c2ccccc2)cc1OC.
What is the InChIKey of 5-benzoyl-6-(3,4-dimethoxyphenyl)-4-hydroxy-4-(trifluoromethyl)-1,3-diazinan-2-one?
The InChIKey is AVZHFFQLDMDZCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N2O5/c1-29-13-9-8-12(10-14(13)30-2)16-15(17(26)11-6-4-3-5-7-11)19(28,20(21,22)23)25-18(27)24-16/h3-10,15-16,28H,1-2H3,(H2,24,25,27).
What are the key properties of 5-benzoyl-6-(3,4-dimethoxyphenyl)-4-hydroxy-4-(trifluoromethyl)-1,3-diazinan-2-one?
5-benzoyl-6-(3,4-dimethoxyphenyl)-4-hydroxy-4-(trifluoromethyl)-1,3-diazinan-2-one has a molecular weight of 424.38 g/mol, XLogP of 2.81, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzoyl-6-(3,4-dimethoxyphenyl)-4-hydroxy-4-(trifluoromethyl)-1,3-diazinan-2-one is sourced from PubChem (CID 4081553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).