(4-acetamidophenyl) 2-hydroxybenzoate

C15H13NO4 — CID 1984

IUPAC(4-acetamidophenyl) 2-hydroxybenzoate
SMILESCC(=O)Nc1ccc(OC(=O)c2ccccc2O)cc1
InChIInChI=1S/C15H13NO4/c1-10(17)16-11-6-8-12(9-7-11)20-15(19)13-4-2-3-5-14(13)18/h2-9,18H,1H3,(H,16,17)
InChIKeyTWIIVLKQFJBFPW-UHFFFAOYSA-N
MW271.27 g/mol
LogP2.57
Rot. Bonds3

About (4-acetamidophenyl) 2-hydroxybenzoate

(4-acetamidophenyl) 2-hydroxybenzoate (PubChem CID 1984) has the molecular formula C15H13NO4 and a molecular weight of 271.27 g/mol. Its IUPAC name is (4-acetamidophenyl) 2-hydroxybenzoate.

Molecular Properties

Compound Name(4-acetamidophenyl) 2-hydroxybenzoate
PubChem CID1984
Molecular FormulaC15H13NO4
Molecular Weight271.27 g/mol
Exact Mass271.08
IUPAC Name(4-acetamidophenyl) 2-hydroxybenzoate
SMILESCC(=O)Nc1ccc(OC(=O)c2ccccc2O)cc1
InChIInChI=1S/C15H13NO4/c1-10(17)16-11-6-8-12(9-7-11)20-15(19)13-4-2-3-5-14(13)18/h2-9,18H,1H3,(H,16,17)
InChIKeyTWIIVLKQFJBFPW-UHFFFAOYSA-N
XLogP2.57
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Benorylate
CID 21102
Ethopabate
CID 6034
Salicylanilide
CID 6872
N-Acetyl-5-Aminosalicylic Acid
CID 65512
Osalmid
CID 4602
2-[(4-Methoxyphenyl)amino]benzoic acid
CID 202918
N-(4-methoxyphenyl)-2-oxo-2H-chromene-3-carboxamide
CID 745287
2-((4-Phenoxyanilino)carbonyl)benzoic acid
CID 736198
N-(4-Methoxyphenyl)benzoic acid amide
CID 139031
Benzamide, N-(4-ethoxyphenyl)-
CID 203878
N-(4-Methoxyphenyl)-2-hydroxybenzamide
CID 478806
N-(4-Ethoxyphenyl)-2-hydroxybenzamide
CID 94777

Frequently Asked Questions

What is the IUPAC name of (4-acetamidophenyl) 2-hydroxybenzoate?
The IUPAC name of (4-acetamidophenyl) 2-hydroxybenzoate (CID 1984) is (4-acetamidophenyl) 2-hydroxybenzoate.
What is the SMILES notation for (4-acetamidophenyl) 2-hydroxybenzoate?
The canonical SMILES for (4-acetamidophenyl) 2-hydroxybenzoate is CC(=O)Nc1ccc(OC(=O)c2ccccc2O)cc1.
What is the InChIKey of (4-acetamidophenyl) 2-hydroxybenzoate?
The InChIKey is TWIIVLKQFJBFPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO4/c1-10(17)16-11-6-8-12(9-7-11)20-15(19)13-4-2-3-5-14(13)18/h2-9,18H,1H3,(H,16,17).
What are the key properties of (4-acetamidophenyl) 2-hydroxybenzoate?
(4-acetamidophenyl) 2-hydroxybenzoate has a molecular weight of 271.27 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-acetamidophenyl) 2-hydroxybenzoate is sourced from PubChem (CID 1984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).