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

C16H15NO4 — CID 61405897

IUPAC2-[(2,3-dimethylbenzoyl)amino]-5-hydroxybenzoic acid
SMILESCc1cccc(C(=O)Nc2ccc(O)cc2C(=O)O)c1C
InChIInChI=1S/C16H15NO4/c1-9-4-3-5-12(10(9)2)15(19)17-14-7-6-11(18)8-13(14)16(20)21/h3-8,18H,1-2H3,(H,17,19)(H,20,21)
InChIKeyJPFJGHTZJAYMRG-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.96
Rot. Bonds3

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

2-[(2,3-dimethylbenzoyl)amino]-5-hydroxybenzoic acid (PubChem CID 61405897) has the molecular formula C16H15NO4 and a molecular weight of 285.30 g/mol. Its IUPAC name is 2-[(2,3-dimethylbenzoyl)amino]-5-hydroxybenzoic acid.

Molecular Properties

Compound Name2-[(2,3-dimethylbenzoyl)amino]-5-hydroxybenzoic acid
PubChem CID61405897
Molecular FormulaC16H15NO4
Molecular Weight285.30 g/mol
Exact Mass285.10
IUPAC Name2-[(2,3-dimethylbenzoyl)amino]-5-hydroxybenzoic acid
SMILESCc1cccc(C(=O)Nc2ccc(O)cc2C(=O)O)c1C
InChIInChI=1S/C16H15NO4/c1-9-4-3-5-12(10(9)2)15(19)17-14-7-6-11(18)8-13(14)16(20)21/h3-8,18H,1-2H3,(H,17,19)(H,20,21)
InChIKeyJPFJGHTZJAYMRG-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'}

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Related Compounds

5-amino-2-[(3-hydroxy-2-methylbenzoyl)amino]benzoic acid
CID 82808977
2-[(2-hydroxy-3-methylbenzoyl)amino]-5-iodobenzoic acid
CID 63405359
5-methyl-2-[(2-methylbenzoyl)amino]benzoic acid
CID 21232994
2-[(2-aminobenzoyl)amino]-5-hydroxybenzoic acid
CID 61406308
N-(4-fluoro-2-methylphenyl)-2,3-dimethylbenzamide
CID 7751902
2-[(2-fluoro-3-methylbenzoyl)amino]-5-iodobenzoic acid
CID 81480850
2,3-dimethyl-N-(2,4,6-trimethylphenyl)benzamide
CID 8760033
2-[(2,6-dimethylpyridine-3-carbonyl)amino]-5-hydroxybenzoic acid
CID 62829376
N-(4-amino-2-chlorophenyl)-2,3-dimethylbenzamide
CID 16788699
5-hydroxy-2-[[2-(2-methylphenyl)acetyl]amino]benzoic acid
CID 61406202
2-[(2-fluoro-5-methylbenzoyl)amino]-5-hydroxybenzoic acid
CID 62514253
2-[(4,5-dimethylthiophene-2-carbonyl)amino]-5-hydroxybenzoic acid
CID 61405863

Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-dimethylbenzoyl)amino]-5-hydroxybenzoic acid?
The IUPAC name of 2-[(2,3-dimethylbenzoyl)amino]-5-hydroxybenzoic acid (CID 61405897) is 2-[(2,3-dimethylbenzoyl)amino]-5-hydroxybenzoic acid.
What is the SMILES notation for 2-[(2,3-dimethylbenzoyl)amino]-5-hydroxybenzoic acid?
The canonical SMILES for 2-[(2,3-dimethylbenzoyl)amino]-5-hydroxybenzoic acid is Cc1cccc(C(=O)Nc2ccc(O)cc2C(=O)O)c1C.
What is the InChIKey of 2-[(2,3-dimethylbenzoyl)amino]-5-hydroxybenzoic acid?
The InChIKey is JPFJGHTZJAYMRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO4/c1-9-4-3-5-12(10(9)2)15(19)17-14-7-6-11(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-[(2,3-dimethylbenzoyl)amino]-5-hydroxybenzoic acid?
2-[(2,3-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-[(2,3-dimethylbenzoyl)amino]-5-hydroxybenzoic acid is sourced from PubChem (CID 61405897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).