(4-acetamidophenyl) 2-acetyloxybenzoate

C17H15NO5 — CID 21102

💊View drug profile → benorilate
IUPAC(4-acetamidophenyl) 2-acetyloxybenzoate
SMILESCC(=O)Nc1ccc(OC(=O)c2ccccc2OC(C)=O)cc1
InChIInChI=1S/C17H15NO5/c1-11(19)18-13-7-9-14(10-8-13)23-17(21)15-5-3-4-6-16(15)22-12(2)20/h3-10H,1-2H3,(H,18,19)
InChIKeyFEJKLNWAOXSSNR-UHFFFAOYSA-N
MW313.31 g/mol
LogP2.79
Rot. Bonds4

About (4-acetamidophenyl) 2-acetyloxybenzoate

(4-acetamidophenyl) 2-acetyloxybenzoate (PubChem CID 21102) has the molecular formula C17H15NO5 and a molecular weight of 313.31 g/mol. Its IUPAC name is (4-acetamidophenyl) 2-acetyloxybenzoate.

Molecular Properties

Compound Name(4-acetamidophenyl) 2-acetyloxybenzoate
PubChem CID21102
Molecular FormulaC17H15NO5
Molecular Weight313.31 g/mol
Exact Mass313.10
IUPAC Name(4-acetamidophenyl) 2-acetyloxybenzoate
SMILESCC(=O)Nc1ccc(OC(=O)c2ccccc2OC(C)=O)cc1
InChIInChI=1S/C17H15NO5/c1-11(19)18-13-7-9-14(10-8-13)23-17(21)15-5-3-4-6-16(15)22-12(2)20/h3-10H,1-2H3,(H,18,19)
InChIKeyFEJKLNWAOXSSNR-UHFFFAOYSA-N
XLogP2.79
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (4-acetamidophenyl) 2-acetyloxybenzoate 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

Ethopabate
CID 6034
Acetaminosalol
CID 1984
2-(Acetyloxy)-N-(4-chlorophenyl)-3,5-diiodobenzamide
CID 26695
2-oxo-N-p-tolyl-2H-chromene-3-carboxamide
CID 599290
N-(4-methoxyphenyl)-2-oxo-2H-chromene-3-carboxamide
CID 745287
N-(4-methoxyphenyl)-4-methylbenzamide
CID 531829
4-Methyl-7-(phenylacetamido)coumarin
CID 688125
2-oxo-N-phenyl-2H-chromene-3-carboxamide
CID 341782
N-(3-Methylphenyl)-2-oxo-2H-chromene-3-carboxamide
CID 599289
6-Acetamidocoumarin
CID 13262
N-(3,5-dimethylphenyl)-2-oxo-2H-chromene-3-carboxamide
CID 724196
N-(4-fluorophenyl)-2-oxo-2H-chromene-3-carboxamide
CID 694612

Frequently Asked Questions

What is the IUPAC name of (4-acetamidophenyl) 2-acetyloxybenzoate?
The IUPAC name of (4-acetamidophenyl) 2-acetyloxybenzoate (CID 21102) is (4-acetamidophenyl) 2-acetyloxybenzoate.
What is the SMILES notation for (4-acetamidophenyl) 2-acetyloxybenzoate?
The canonical SMILES for (4-acetamidophenyl) 2-acetyloxybenzoate is CC(=O)Nc1ccc(OC(=O)c2ccccc2OC(C)=O)cc1.
What is the InChIKey of (4-acetamidophenyl) 2-acetyloxybenzoate?
The InChIKey is FEJKLNWAOXSSNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO5/c1-11(19)18-13-7-9-14(10-8-13)23-17(21)15-5-3-4-6-16(15)22-12(2)20/h3-10H,1-2H3,(H,18,19).
What are the key properties of (4-acetamidophenyl) 2-acetyloxybenzoate?
(4-acetamidophenyl) 2-acetyloxybenzoate has a molecular weight of 313.31 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-acetamidophenyl) 2-acetyloxybenzoate is sourced from PubChem (CID 21102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).