5-hydroxy-2-[[2-(2-methylphenyl)acetyl]amino]benzoic acid

C16H15NO4 — CID 61406202

IUPAC5-hydroxy-2-[[2-(2-methylphenyl)acetyl]amino]benzoic acid
SMILESCc1ccccc1CC(=O)Nc1ccc(O)cc1C(=O)O
InChIInChI=1S/C16H15NO4/c1-10-4-2-3-5-11(10)8-15(19)17-14-7-6-12(18)9-13(14)16(20)21/h2-7,9,18H,8H2,1H3,(H,17,19)(H,20,21)
InChIKeyYHGYQUJOEJBGII-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.58
Rot. Bonds4

About 5-hydroxy-2-[[2-(2-methylphenyl)acetyl]amino]benzoic acid

5-hydroxy-2-[[2-(2-methylphenyl)acetyl]amino]benzoic acid (PubChem CID 61406202) has the molecular formula C16H15NO4 and a molecular weight of 285.30 g/mol. Its IUPAC name is 5-hydroxy-2-[[2-(2-methylphenyl)acetyl]amino]benzoic acid.

Molecular Properties

Compound Name5-hydroxy-2-[[2-(2-methylphenyl)acetyl]amino]benzoic acid
PubChem CID61406202
Molecular FormulaC16H15NO4
Molecular Weight285.30 g/mol
Exact Mass285.10
IUPAC Name5-hydroxy-2-[[2-(2-methylphenyl)acetyl]amino]benzoic acid
SMILESCc1ccccc1CC(=O)Nc1ccc(O)cc1C(=O)O
InChIInChI=1S/C16H15NO4/c1-10-4-2-3-5-11(10)8-15(19)17-14-7-6-12(18)9-13(14)16(20)21/h2-7,9,18H,8H2,1H3,(H,17,19)(H,20,21)
InChIKeyYHGYQUJOEJBGII-UHFFFAOYSA-N
XLogP2.58
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methylphenyl)-N-[2-[[2-(2-methylphenyl)acetyl]amino]phenyl]acetamide
CID 26164464
5-hydroxy-2-[[2-(methylamino)acetyl]amino]benzoic acid
CID 61405958
5-chloro-2-[3-(2-methylphenyl)propanoylamino]benzoic acid
CID 141008006
2-(3-aminopropanoylamino)-5-hydroxybenzoic acid
CID 61405791
5-hydroxy-2-[[2-(4-methoxyphenyl)acetyl]amino]benzoic acid
CID 578470
2-chloro-5-[[2-(2-methylphenyl)acetyl]amino]benzoic acid
CID 60748562
5-hydroxy-2-[(2-methoxyacetyl)amino]benzoic acid
CID 61405856
2-[(2,3-dimethylbenzoyl)amino]-5-hydroxybenzoic acid
CID 61405897
5-hydroxy-2-(4-methylpentanoylamino)benzoic acid
CID 61406249
N-(5-chloro-2-methylphenyl)-2-(2-methylphenyl)acetamide
CID 8624306
3-[[2-(2-methylphenyl)acetyl]amino]pyridine-2-carboxylic acid
CID 104740245
N-(3-acetamido-2-methylphenyl)-2-(2-methylphenyl)acetamide
CID 39975983

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-[[2-(2-methylphenyl)acetyl]amino]benzoic acid?
The IUPAC name of 5-hydroxy-2-[[2-(2-methylphenyl)acetyl]amino]benzoic acid (CID 61406202) is 5-hydroxy-2-[[2-(2-methylphenyl)acetyl]amino]benzoic acid.
What is the SMILES notation for 5-hydroxy-2-[[2-(2-methylphenyl)acetyl]amino]benzoic acid?
The canonical SMILES for 5-hydroxy-2-[[2-(2-methylphenyl)acetyl]amino]benzoic acid is Cc1ccccc1CC(=O)Nc1ccc(O)cc1C(=O)O.
What is the InChIKey of 5-hydroxy-2-[[2-(2-methylphenyl)acetyl]amino]benzoic acid?
The InChIKey is YHGYQUJOEJBGII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO4/c1-10-4-2-3-5-11(10)8-15(19)17-14-7-6-12(18)9-13(14)16(20)21/h2-7,9,18H,8H2,1H3,(H,17,19)(H,20,21).
What are the key properties of 5-hydroxy-2-[[2-(2-methylphenyl)acetyl]amino]benzoic acid?
5-hydroxy-2-[[2-(2-methylphenyl)acetyl]amino]benzoic acid has a molecular weight of 285.30 g/mol, XLogP of 2.58, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-[[2-(2-methylphenyl)acetyl]amino]benzoic acid is sourced from PubChem (CID 61406202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).