2-[(4-anilinophenyl)diazenyl]benzoic acid

C19H15N3O2 — CID 101005663

IUPAC2-[(4-anilinophenyl)diazenyl]benzoic acid
SMILESO=C(O)c1ccccc1/N=N/c1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C19H15N3O2/c23-19(24)17-8-4-5-9-18(17)22-21-16-12-10-15(11-13-16)20-14-6-2-1-3-7-14/h1-13,20H,(H,23,24)/b22-21+
InChIKeyDEUAMBSESJHGOY-QURGRASLSA-N
MW317.35 g/mol
LogP5.54
Rot. Bonds5

About 2-[(4-anilinophenyl)diazenyl]benzoic acid

2-[(4-anilinophenyl)diazenyl]benzoic acid (PubChem CID 101005663) has the molecular formula C19H15N3O2 and a molecular weight of 317.35 g/mol. Its IUPAC name is 2-[(4-anilinophenyl)diazenyl]benzoic acid.

Molecular Properties

Compound Name2-[(4-anilinophenyl)diazenyl]benzoic acid
PubChem CID101005663
Molecular FormulaC19H15N3O2
Molecular Weight317.35 g/mol
Exact Mass317.12
IUPAC Name2-[(4-anilinophenyl)diazenyl]benzoic acid
SMILESO=C(O)c1ccccc1/N=N/c1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C19H15N3O2/c23-19(24)17-8-4-5-9-18(17)22-21-16-12-10-15(11-13-16)20-14-6-2-1-3-7-14/h1-13,20H,(H,23,24)/b22-21+
InChIKeyDEUAMBSESJHGOY-QURGRASLSA-N
XLogP5.54
TPSA74.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.35
LogP ≤ 55.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

2-[[4-(methylamino)phenyl]diazenyl]benzoic acid
CID 13038165
4-benzylphenol;2-[(4-hydroxyphenyl)diazenyl]benzoic acid;4-phenyldiazenylphenol
CID 159605482
2-[[4-(diethylamino)phenyl]diazenyl]benzoic acid iodide
CID 20831759
2-phenyldiazenylbenzamide
CID 3752866
2-anilinobenzoic acid;N-phenylaniline
CID 68732454
2-amino-1-(2-phenyldiazenylphenyl)ethanone
CID 175689798
5-amino-2-phenyldiazenylbenzoic acid
CID 23165759
CID 66717184
CID 66717184
N-ethyl-2-[(4-hydroxyphenyl)diazenyl]benzamide
CID 173282434
4-(4-carboxyanilino)-3-[(2-carboxyphenyl)diazenyl]-4-oxobut-2-en-2-olate
CID 152777341
4-[(2-bromo-4-ethenylsulfonylphenyl)diazenyl]-N-phenylaniline
CID 3023954
(4-fluorophenyl)-(2-phenyldiazenylphenyl)methanone
CID 132531231

Frequently Asked Questions

What is the IUPAC name of 2-[(4-anilinophenyl)diazenyl]benzoic acid?
The IUPAC name of 2-[(4-anilinophenyl)diazenyl]benzoic acid (CID 101005663) is 2-[(4-anilinophenyl)diazenyl]benzoic acid.
What is the SMILES notation for 2-[(4-anilinophenyl)diazenyl]benzoic acid?
The canonical SMILES for 2-[(4-anilinophenyl)diazenyl]benzoic acid is O=C(O)c1ccccc1/N=N/c1ccc(Nc2ccccc2)cc1.
What is the InChIKey of 2-[(4-anilinophenyl)diazenyl]benzoic acid?
The InChIKey is DEUAMBSESJHGOY-QURGRASLSA-N. The full InChI is InChI=1S/C19H15N3O2/c23-19(24)17-8-4-5-9-18(17)22-21-16-12-10-15(11-13-16)20-14-6-2-1-3-7-14/h1-13,20H,(H,23,24)/b22-21+.
What are the key properties of 2-[(4-anilinophenyl)diazenyl]benzoic acid?
2-[(4-anilinophenyl)diazenyl]benzoic acid has a molecular weight of 317.35 g/mol, XLogP of 5.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-anilinophenyl)diazenyl]benzoic acid is sourced from PubChem (CID 101005663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).