4-acetamido-2-hydroxy-5-[(4-methylphenyl)diazenyl]benzoic acid

C16H15N3O4 — CID 136679545

IUPAC4-acetamido-2-hydroxy-5-[(4-methylphenyl)diazenyl]benzoic acid
SMILESCC(=O)Nc1cc(O)c(C(=O)O)cc1/N=N/c1ccc(C)cc1
InChIInChI=1S/C16H15N3O4/c1-9-3-5-11(6-4-9)18-19-14-7-12(16(22)23)15(21)8-13(14)17-10(2)20/h3-8,21H,1-2H3,(H,17,20)(H,22,23)/b19-18+
InChIKeyHOJKWNCQVCLDQY-VHEBQXMUSA-N
MW313.31 g/mol
LogP3.77
Rot. Bonds4

About 4-acetamido-2-hydroxy-5-[(4-methylphenyl)diazenyl]benzoic acid

4-acetamido-2-hydroxy-5-[(4-methylphenyl)diazenyl]benzoic acid (PubChem CID 136679545) has the molecular formula C16H15N3O4 and a molecular weight of 313.31 g/mol. Its IUPAC name is 4-acetamido-2-hydroxy-5-[(4-methylphenyl)diazenyl]benzoic acid.

Molecular Properties

Compound Name4-acetamido-2-hydroxy-5-[(4-methylphenyl)diazenyl]benzoic acid
PubChem CID136679545
Molecular FormulaC16H15N3O4
Molecular Weight313.31 g/mol
Exact Mass313.11
IUPAC Name4-acetamido-2-hydroxy-5-[(4-methylphenyl)diazenyl]benzoic acid
SMILESCC(=O)Nc1cc(O)c(C(=O)O)cc1/N=N/c1ccc(C)cc1
InChIInChI=1S/C16H15N3O4/c1-9-3-5-11(6-4-9)18-19-14-7-12(16(22)23)15(21)8-13(14)17-10(2)20/h3-8,21H,1-2H3,(H,17,20)(H,22,23)/b19-18+
InChIKeyHOJKWNCQVCLDQY-VHEBQXMUSA-N
XLogP3.77
TPSA111.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 53.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

N-(5-methyl-2-phenyldiazenylphenyl)acetamide
CID 154602849
1-hydroxy-4-[(4-methylphenyl)diazenyl]naphthalene-2-carboxylic acid
CID 136679288
4-acetamido-5-amino-2-hydroxybenzoic acid
CID 56966036
2-acetamido-4,5-dihydroxybenzoic acid
CID 19386799
2-acetamido-5-[(2-hydroxy-5-methylphenyl)diazenyl]benzenesulfonic acid
CID 135764710
5-methyl-2-[(4-methylphenyl)diazenyl]phenol
CID 135467997
2-hydroxy-4-[[2-(2-methylprop-2-enoylamino)phenyl]diazenyl]benzoic acid
CID 22035165
N-[2,5-dihydroxy-4-(4-methylanilino)phenyl]acetamide
CID 139679936
1-[4-[(2-hydroxy-5-methylphenyl)diazenyl]phenyl]ethanone
CID 3514586
N-[4-methyl-2-[(4-methylphenyl)diazenyl]phenyl]-4-[4-[[4-methyl-2-[(4-methylphenyl)diazenyl]phenyl]carbamoyl]phenoxy]benzamide
CID 2852723
2-cyano-N-[4-methyl-2-[(4-methylphenyl)diazenyl]phenyl]acetamide
CID 168521733
CID 170854418
CID 170854418

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-2-hydroxy-5-[(4-methylphenyl)diazenyl]benzoic acid?
The IUPAC name of 4-acetamido-2-hydroxy-5-[(4-methylphenyl)diazenyl]benzoic acid (CID 136679545) is 4-acetamido-2-hydroxy-5-[(4-methylphenyl)diazenyl]benzoic acid.
What is the SMILES notation for 4-acetamido-2-hydroxy-5-[(4-methylphenyl)diazenyl]benzoic acid?
The canonical SMILES for 4-acetamido-2-hydroxy-5-[(4-methylphenyl)diazenyl]benzoic acid is CC(=O)Nc1cc(O)c(C(=O)O)cc1/N=N/c1ccc(C)cc1.
What is the InChIKey of 4-acetamido-2-hydroxy-5-[(4-methylphenyl)diazenyl]benzoic acid?
The InChIKey is HOJKWNCQVCLDQY-VHEBQXMUSA-N. The full InChI is InChI=1S/C16H15N3O4/c1-9-3-5-11(6-4-9)18-19-14-7-12(16(22)23)15(21)8-13(14)17-10(2)20/h3-8,21H,1-2H3,(H,17,20)(H,22,23)/b19-18+.
What are the key properties of 4-acetamido-2-hydroxy-5-[(4-methylphenyl)diazenyl]benzoic acid?
4-acetamido-2-hydroxy-5-[(4-methylphenyl)diazenyl]benzoic acid has a molecular weight of 313.31 g/mol, XLogP of 3.77, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-2-hydroxy-5-[(4-methylphenyl)diazenyl]benzoic acid is sourced from PubChem (CID 136679545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).