2-[(3,4-dimethylbenzoyl)amino]-5-hydroxybenzoic acid

C16H15NO4 — CID 973360

IUPAC2-[(3,4-dimethylbenzoyl)amino]-5-hydroxybenzoic acid
SMILESCc1ccc(C(=O)Nc2ccc(O)cc2C(=O)O)cc1C
InChIInChI=1S/C16H15NO4/c1-9-3-4-11(7-10(9)2)15(19)17-14-6-5-12(18)8-13(14)16(20)21/h3-8,18H,1-2H3,(H,17,19)(H,20,21)
InChIKeyXQMDTBRZVFGRGE-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.96
Rot. Bonds3

About 2-[(3,4-dimethylbenzoyl)amino]-5-hydroxybenzoic acid

2-[(3,4-dimethylbenzoyl)amino]-5-hydroxybenzoic acid (PubChem CID 973360) has the molecular formula C16H15NO4 and a molecular weight of 285.30 g/mol. Its IUPAC name is 2-[(3,4-dimethylbenzoyl)amino]-5-hydroxybenzoic acid.

Molecular Properties

Compound Name2-[(3,4-dimethylbenzoyl)amino]-5-hydroxybenzoic acid
PubChem CID973360
Molecular FormulaC16H15NO4
Molecular Weight285.30 g/mol
Exact Mass285.10
IUPAC Name2-[(3,4-dimethylbenzoyl)amino]-5-hydroxybenzoic acid
SMILESCc1ccc(C(=O)Nc2ccc(O)cc2C(=O)O)cc1C
InChIInChI=1S/C16H15NO4/c1-9-3-4-11(7-10(9)2)15(19)17-14-6-5-12(18)8-13(14)16(20)21/h3-8,18H,1-2H3,(H,17,19)(H,20,21)
InChIKeyXQMDTBRZVFGRGE-UHFFFAOYSA-N
XLogP2.96
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.96
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'}

Analyze 2-[(3,4-dimethylbenzoyl)amino]-5-hydroxybenzoic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dimethylbenzoyl)amino]-5-hydroxybenzoic acid?
The IUPAC name of 2-[(3,4-dimethylbenzoyl)amino]-5-hydroxybenzoic acid (CID 973360) is 2-[(3,4-dimethylbenzoyl)amino]-5-hydroxybenzoic acid.
What is the SMILES notation for 2-[(3,4-dimethylbenzoyl)amino]-5-hydroxybenzoic acid?
The canonical SMILES for 2-[(3,4-dimethylbenzoyl)amino]-5-hydroxybenzoic acid is Cc1ccc(C(=O)Nc2ccc(O)cc2C(=O)O)cc1C.
What is the InChIKey of 2-[(3,4-dimethylbenzoyl)amino]-5-hydroxybenzoic acid?
The InChIKey is XQMDTBRZVFGRGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO4/c1-9-3-4-11(7-10(9)2)15(19)17-14-6-5-12(18)8-13(14)16(20)21/h3-8,18H,1-2H3,(H,17,19)(H,20,21).
What are the key properties of 2-[(3,4-dimethylbenzoyl)amino]-5-hydroxybenzoic acid?
2-[(3,4-dimethylbenzoyl)amino]-5-hydroxybenzoic acid has a molecular weight of 285.30 g/mol, XLogP of 2.96, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dimethylbenzoyl)amino]-5-hydroxybenzoic acid is sourced from PubChem (CID 973360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).