5-(3-acetamidophenyl)-2-hydroxybenzoic acid

C15H13NO4 — CID 10978560

IUPAC5-(3-acetamidophenyl)-2-hydroxybenzoic acid
SMILESCC(=O)Nc1cccc(-c2ccc(O)c(C(=O)O)c2)c1
InChIInChI=1S/C15H13NO4/c1-9(17)16-12-4-2-3-10(7-12)11-5-6-14(18)13(8-11)15(19)20/h2-8,18H,1H3,(H,16,17)(H,19,20)
InChIKeyROTDFTKBYBZATK-UHFFFAOYSA-N
MW271.27 g/mol
LogP2.72
Rot. Bonds3

About 5-(3-acetamidophenyl)-2-hydroxybenzoic acid

5-(3-acetamidophenyl)-2-hydroxybenzoic acid (PubChem CID 10978560) has the molecular formula C15H13NO4 and a molecular weight of 271.27 g/mol. Its IUPAC name is 5-(3-acetamidophenyl)-2-hydroxybenzoic acid.

Molecular Properties

Compound Name5-(3-acetamidophenyl)-2-hydroxybenzoic acid
PubChem CID10978560
Molecular FormulaC15H13NO4
Molecular Weight271.27 g/mol
Exact Mass271.08
IUPAC Name5-(3-acetamidophenyl)-2-hydroxybenzoic acid
SMILESCC(=O)Nc1cccc(-c2ccc(O)c(C(=O)O)c2)c1
InChIInChI=1S/C15H13NO4/c1-9(17)16-12-4-2-3-10(7-12)11-5-6-14(18)13(8-11)15(19)20/h2-8,18H,1H3,(H,16,17)(H,19,20)
InChIKeyROTDFTKBYBZATK-UHFFFAOYSA-N
XLogP2.72
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3-carboxyphenyl)-2-hydroxybenzoic acid
CID 102139788
5-(3-tert-butylphenyl)-2-hydroxybenzoic acid
CID 67567702
2-hydroxy-5-(3-methoxyphenyl)benzoic acid
CID 4564140
5-(3-acetamidophenyl)pyridine-2-carboxylic acid
CID 50998543
5-(3-acetamidophenyl)-2-[[4-(trifluoromethyl)benzoyl]amino]benzoic acid
CID 10275124
3-(3-acetamidophenyl)pyridine-4-carboxylic acid
CID 53223642
2-(3-acetamidophenyl)pyridine-3-carboxylic acid
CID 53223643
N-[3-(3-aminophenyl)phenyl]acetamide
CID 22724502
4-(3-acetamidophenyl)benzoate
CID 86306420
N-[3-(5-chloro-2-hydroxyphenyl)phenyl]acetamide
CID 134858754
2-acetamido-5-phenylbenzoic acid
CID 70700127
3-(3-acetamidophenyl)-5-aminobenzoic acid
CID 53227021

Frequently Asked Questions

What is the IUPAC name of 5-(3-acetamidophenyl)-2-hydroxybenzoic acid?
The IUPAC name of 5-(3-acetamidophenyl)-2-hydroxybenzoic acid (CID 10978560) is 5-(3-acetamidophenyl)-2-hydroxybenzoic acid.
What is the SMILES notation for 5-(3-acetamidophenyl)-2-hydroxybenzoic acid?
The canonical SMILES for 5-(3-acetamidophenyl)-2-hydroxybenzoic acid is CC(=O)Nc1cccc(-c2ccc(O)c(C(=O)O)c2)c1.
What is the InChIKey of 5-(3-acetamidophenyl)-2-hydroxybenzoic acid?
The InChIKey is ROTDFTKBYBZATK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO4/c1-9(17)16-12-4-2-3-10(7-12)11-5-6-14(18)13(8-11)15(19)20/h2-8,18H,1H3,(H,16,17)(H,19,20).
What are the key properties of 5-(3-acetamidophenyl)-2-hydroxybenzoic acid?
5-(3-acetamidophenyl)-2-hydroxybenzoic acid has a molecular weight of 271.27 g/mol, XLogP of 2.72, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-acetamidophenyl)-2-hydroxybenzoic acid is sourced from PubChem (CID 10978560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).