2-[[4-(dimethylamino)phenyl]diazenyl]benzoic acid

C15H15N3O2 — CID 10303

IUPAC2-[[4-(dimethylamino)phenyl]diazenyl]benzoic acid
SMILESCN(C)c1ccc(/N=N/c2ccccc2C(=O)O)cc1
InChIInChI=1S/C15H15N3O2/c1-18(2)12-9-7-11(8-10-12)16-17-14-6-4-3-5-13(14)15(19)20/h3-10H,1-2H3,(H,19,20)/b17-16+
InChIKeyCEQFOVLGLXCDCX-WUKNDPDISA-N
MW269.30 g/mol
LogP3.87
Rot. Bonds4

About 2-[[4-(dimethylamino)phenyl]diazenyl]benzoic acid

2-[[4-(dimethylamino)phenyl]diazenyl]benzoic acid (PubChem CID 10303) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 2-[[4-(dimethylamino)phenyl]diazenyl]benzoic acid.

Molecular Properties

Compound Name2-[[4-(dimethylamino)phenyl]diazenyl]benzoic acid
PubChem CID10303
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name2-[[4-(dimethylamino)phenyl]diazenyl]benzoic acid
SMILESCN(C)c1ccc(/N=N/c2ccccc2C(=O)O)cc1
InChIInChI=1S/C15H15N3O2/c1-18(2)12-9-7-11(8-10-12)16-17-14-6-4-3-5-13(14)15(19)20/h3-10H,1-2H3,(H,19,20)/b17-16+
InChIKeyCEQFOVLGLXCDCX-WUKNDPDISA-N
XLogP3.87
TPSA65.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

Mefenamic Acid
CID 4044
Flufenamic Acid
CID 3371
N-Phenylanthranilic Acid
CID 4386
Enfenamic Acid
CID 31635
N-acetylanthranilic acid
CID 6971
2-(Benzoylamino)benzoic acid
CID 68482
Methyl N,N-dimethylanthranilate
CID 82336
Diphenylamine-2,2'-dicarboxylic acid
CID 11371
2-(4-Nitroanilino)benzoic acid
CID 201986
Formylanthranilic acid
CID 101399
4-Dimethylaminoazobenzene-4'-carboxylic acid
CID 22650
2-(Methylamino)benzoic acid
CID 67069

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(dimethylamino)phenyl]diazenyl]benzoic acid?
The IUPAC name of 2-[[4-(dimethylamino)phenyl]diazenyl]benzoic acid (CID 10303) is 2-[[4-(dimethylamino)phenyl]diazenyl]benzoic acid.
What is the SMILES notation for 2-[[4-(dimethylamino)phenyl]diazenyl]benzoic acid?
The canonical SMILES for 2-[[4-(dimethylamino)phenyl]diazenyl]benzoic acid is CN(C)c1ccc(/N=N/c2ccccc2C(=O)O)cc1.
What is the InChIKey of 2-[[4-(dimethylamino)phenyl]diazenyl]benzoic acid?
The InChIKey is CEQFOVLGLXCDCX-WUKNDPDISA-N. The full InChI is InChI=1S/C15H15N3O2/c1-18(2)12-9-7-11(8-10-12)16-17-14-6-4-3-5-13(14)15(19)20/h3-10H,1-2H3,(H,19,20)/b17-16+.
What are the key properties of 2-[[4-(dimethylamino)phenyl]diazenyl]benzoic acid?
2-[[4-(dimethylamino)phenyl]diazenyl]benzoic acid has a molecular weight of 269.30 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(dimethylamino)phenyl]diazenyl]benzoic acid is sourced from PubChem (CID 10303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).