5-hydroxy-2-[(4-methylbenzoyl)amino]benzoic acid

C15H13NO4 — CID 804660

IUPAC5-hydroxy-2-[(4-methylbenzoyl)amino]benzoic acid
SMILESCc1ccc(C(=O)Nc2ccc(O)cc2C(=O)O)cc1
InChIInChI=1S/C15H13NO4/c1-9-2-4-10(5-3-9)14(18)16-13-7-6-11(17)8-12(13)15(19)20/h2-8,17H,1H3,(H,16,18)(H,19,20)
InChIKeyAAUCFFHULPLITE-UHFFFAOYSA-N
MW271.27 g/mol
LogP2.65
Rot. Bonds3

About 5-hydroxy-2-[(4-methylbenzoyl)amino]benzoic acid

5-hydroxy-2-[(4-methylbenzoyl)amino]benzoic acid (PubChem CID 804660) has the molecular formula C15H13NO4 and a molecular weight of 271.27 g/mol. Its IUPAC name is 5-hydroxy-2-[(4-methylbenzoyl)amino]benzoic acid.

Molecular Properties

Compound Name5-hydroxy-2-[(4-methylbenzoyl)amino]benzoic acid
PubChem CID804660
Molecular FormulaC15H13NO4
Molecular Weight271.27 g/mol
Exact Mass271.08
IUPAC Name5-hydroxy-2-[(4-methylbenzoyl)amino]benzoic acid
SMILESCc1ccc(C(=O)Nc2ccc(O)cc2C(=O)O)cc1
InChIInChI=1S/C15H13NO4/c1-9-2-4-10(5-3-9)14(18)16-13-7-6-11(17)8-12(13)15(19)20/h2-8,17H,1H3,(H,16,18)(H,19,20)
InChIKeyAAUCFFHULPLITE-UHFFFAOYSA-N
XLogP2.65
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 ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_acid_F(2)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-[(4-methylbenzoyl)amino]benzoic acid?
The IUPAC name of 5-hydroxy-2-[(4-methylbenzoyl)amino]benzoic acid (CID 804660) is 5-hydroxy-2-[(4-methylbenzoyl)amino]benzoic acid.
What is the SMILES notation for 5-hydroxy-2-[(4-methylbenzoyl)amino]benzoic acid?
The canonical SMILES for 5-hydroxy-2-[(4-methylbenzoyl)amino]benzoic acid is Cc1ccc(C(=O)Nc2ccc(O)cc2C(=O)O)cc1.
What is the InChIKey of 5-hydroxy-2-[(4-methylbenzoyl)amino]benzoic acid?
The InChIKey is AAUCFFHULPLITE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO4/c1-9-2-4-10(5-3-9)14(18)16-13-7-6-11(17)8-12(13)15(19)20/h2-8,17H,1H3,(H,16,18)(H,19,20).
What are the key properties of 5-hydroxy-2-[(4-methylbenzoyl)amino]benzoic acid?
5-hydroxy-2-[(4-methylbenzoyl)amino]benzoic acid has a molecular weight of 271.27 g/mol, XLogP of 2.65, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-[(4-methylbenzoyl)amino]benzoic acid is sourced from PubChem (CID 804660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).