[2-(4-acetamido-6-phenyl-1,3,5-triazin-2-yl)phenyl] acetate

C19H16N4O3 — CID 871154

IUPAC[2-(4-acetamido-6-phenyl-1,3,5-triazin-2-yl)phenyl] acetate
SMILESCC(=O)Nc1nc(-c2ccccc2)nc(-c2ccccc2OC(C)=O)n1
InChIInChI=1S/C19H16N4O3/c1-12(24)20-19-22-17(14-8-4-3-5-9-14)21-18(23-19)15-10-6-7-11-16(15)26-13(2)25/h3-11H,1-2H3,(H,20,21,22,23,24)
InChIKeyFYGLIUBZOQDEEN-UHFFFAOYSA-N
MW348.36 g/mol
LogP3.09
Rot. Bonds4

About [2-(4-acetamido-6-phenyl-1,3,5-triazin-2-yl)phenyl] acetate

[2-(4-acetamido-6-phenyl-1,3,5-triazin-2-yl)phenyl] acetate (PubChem CID 871154) has the molecular formula C19H16N4O3 and a molecular weight of 348.36 g/mol. Its IUPAC name is [2-(4-acetamido-6-phenyl-1,3,5-triazin-2-yl)phenyl] acetate.

Molecular Properties

Compound Name[2-(4-acetamido-6-phenyl-1,3,5-triazin-2-yl)phenyl] acetate
PubChem CID871154
Molecular FormulaC19H16N4O3
Molecular Weight348.36 g/mol
Exact Mass348.12
IUPAC Name[2-(4-acetamido-6-phenyl-1,3,5-triazin-2-yl)phenyl] acetate
SMILESCC(=O)Nc1nc(-c2ccccc2)nc(-c2ccccc2OC(C)=O)n1
InChIInChI=1S/C19H16N4O3/c1-12(24)20-19-22-17(14-8-4-3-5-9-14)21-18(23-19)15-10-6-7-11-16(15)26-13(2)25/h3-11H,1-2H3,(H,20,21,22,23,24)
InChIKeyFYGLIUBZOQDEEN-UHFFFAOYSA-N
XLogP3.09
TPSA94.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [2-(4-acetamido-6-phenyl-1,3,5-triazin-2-yl)phenyl] acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-hexoxyphenyl] acetate
CID 18676250
[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]methanol
CID 70037860
[2-(4-aminophenyl)phenyl] acetate
CID 68788383
N-[4-phenyl-6-(propanoylamino)-1,3,5-triazin-2-yl]propanamide
CID 21177324
(2-chloro-3-phenylphenyl) acetate
CID 54501671
N-(4,6-dichloro-2-phenylpyrimidin-5-yl)acetamide
CID 86260174
(2,4-diphenylphenyl) acetate
CID 57057849
(3-phenyl-2-propan-2-ylphenyl) acetate
CID 69300193
[2-(2-iodophenyl)phenyl] acetate
CID 134890357
[2-[3-(2-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl] acetate
CID 164843766
acetic acid;2,4-diphenyl-1,3,5-triazine;ethane
CID 91591144
methyl 2,3-bis(2-acetyloxyphenyl)quinoxaline-6-carboxylate
CID 135017130

Frequently Asked Questions

What is the IUPAC name of [2-(4-acetamido-6-phenyl-1,3,5-triazin-2-yl)phenyl] acetate?
The IUPAC name of [2-(4-acetamido-6-phenyl-1,3,5-triazin-2-yl)phenyl] acetate (CID 871154) is [2-(4-acetamido-6-phenyl-1,3,5-triazin-2-yl)phenyl] acetate.
What is the SMILES notation for [2-(4-acetamido-6-phenyl-1,3,5-triazin-2-yl)phenyl] acetate?
The canonical SMILES for [2-(4-acetamido-6-phenyl-1,3,5-triazin-2-yl)phenyl] acetate is CC(=O)Nc1nc(-c2ccccc2)nc(-c2ccccc2OC(C)=O)n1.
What is the InChIKey of [2-(4-acetamido-6-phenyl-1,3,5-triazin-2-yl)phenyl] acetate?
The InChIKey is FYGLIUBZOQDEEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O3/c1-12(24)20-19-22-17(14-8-4-3-5-9-14)21-18(23-19)15-10-6-7-11-16(15)26-13(2)25/h3-11H,1-2H3,(H,20,21,22,23,24).
What are the key properties of [2-(4-acetamido-6-phenyl-1,3,5-triazin-2-yl)phenyl] acetate?
[2-(4-acetamido-6-phenyl-1,3,5-triazin-2-yl)phenyl] acetate has a molecular weight of 348.36 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-acetamido-6-phenyl-1,3,5-triazin-2-yl)phenyl] acetate is sourced from PubChem (CID 871154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).