[4-[[4-[(4-hydroxyphenyl)diazenyl]benzoyl]amino]phenyl]boronic acid

C19H16BN3O4 — CID 136723540

IUPAC[4-[[4-[(4-hydroxyphenyl)diazenyl]benzoyl]amino]phenyl]boronic acid
SMILESO=C(Nc1ccc(B(O)O)cc1)c1ccc(/N=N/c2ccc(O)cc2)cc1
InChIInChI=1S/C19H16BN3O4/c24-18-11-9-17(10-12-18)23-22-16-5-1-13(2-6-16)19(25)21-15-7-3-14(4-8-15)20(26)27/h1-12,24,26-27H,(H,21,25)/b23-22+
InChIKeyXQLLSMVHCKVLHO-GHVJWSGMSA-N
MW361.17 g/mol
LogP2.74
Rot. Bonds5

About [4-[[4-[(4-hydroxyphenyl)diazenyl]benzoyl]amino]phenyl]boronic acid

[4-[[4-[(4-hydroxyphenyl)diazenyl]benzoyl]amino]phenyl]boronic acid (PubChem CID 136723540) has the molecular formula C19H16BN3O4 and a molecular weight of 361.17 g/mol. Its IUPAC name is [4-[[4-[(4-hydroxyphenyl)diazenyl]benzoyl]amino]phenyl]boronic acid.

Molecular Properties

Compound Name[4-[[4-[(4-hydroxyphenyl)diazenyl]benzoyl]amino]phenyl]boronic acid
PubChem CID136723540
Molecular FormulaC19H16BN3O4
Molecular Weight361.17 g/mol
Exact Mass361.12
IUPAC Name[4-[[4-[(4-hydroxyphenyl)diazenyl]benzoyl]amino]phenyl]boronic acid
SMILESO=C(Nc1ccc(B(O)O)cc1)c1ccc(/N=N/c2ccc(O)cc2)cc1
InChIInChI=1S/C19H16BN3O4/c24-18-11-9-17(10-12-18)23-22-16-5-1-13(2-6-16)19(25)21-15-7-3-14(4-8-15)20(26)27/h1-12,24,26-27H,(H,21,25)/b23-22+
InChIKeyXQLLSMVHCKVLHO-GHVJWSGMSA-N
XLogP2.74
TPSA114.51 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.17
LogP ≤ 52.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-acetamido-N-[4-[(4-acetamidophenyl)diazenyl]phenyl]benzamide
CID 130360401
4-amino-N-[4-[[4-[(4-aminobenzoyl)amino]phenyl]diazenyl]phenyl]benzamide
CID 134597340
4-hydroxy-N-[4-(methylamino)phenyl]benzamide
CID 91493666
ethane;N-phenyl-4-phenyldiazenylbenzamide
CID 159586308
4-hydroxy-N-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide
CID 24707724
methyl 4-[[4-[(4-hydroxyphenyl)carbamoyl]phenyl]carbamoyl]benzoate
CID 3353390
N-[4-[4-[(4-hydroxyphenyl)diazenyl]phenyl]phenyl]acetamide
CID 137186099
4-[(3,4-dihydroxyphenyl)diazenyl]-N-(4-ethenylphenyl)benzamide
CID 137158163
N-(4-hydroxyphenyl)-6-oxopyran-3-carboxamide
CID 28739534
3,5-ditert-butyl-4-hydroxy-N-[4-[(4-hydroxyphenyl)carbamoyl]phenyl]benzamide
CID 54076657
N-[4-[(4-cyanophenyl)diazenyl]phenyl]benzamide
CID 58861214
4-[(diaminomethylideneamino)methyl]-N-(4-hydroxyphenyl)benzamide
CID 14211292

Frequently Asked Questions

What is the IUPAC name of [4-[[4-[(4-hydroxyphenyl)diazenyl]benzoyl]amino]phenyl]boronic acid?
The IUPAC name of [4-[[4-[(4-hydroxyphenyl)diazenyl]benzoyl]amino]phenyl]boronic acid (CID 136723540) is [4-[[4-[(4-hydroxyphenyl)diazenyl]benzoyl]amino]phenyl]boronic acid.
What is the SMILES notation for [4-[[4-[(4-hydroxyphenyl)diazenyl]benzoyl]amino]phenyl]boronic acid?
The canonical SMILES for [4-[[4-[(4-hydroxyphenyl)diazenyl]benzoyl]amino]phenyl]boronic acid is O=C(Nc1ccc(B(O)O)cc1)c1ccc(/N=N/c2ccc(O)cc2)cc1.
What is the InChIKey of [4-[[4-[(4-hydroxyphenyl)diazenyl]benzoyl]amino]phenyl]boronic acid?
The InChIKey is XQLLSMVHCKVLHO-GHVJWSGMSA-N. The full InChI is InChI=1S/C19H16BN3O4/c24-18-11-9-17(10-12-18)23-22-16-5-1-13(2-6-16)19(25)21-15-7-3-14(4-8-15)20(26)27/h1-12,24,26-27H,(H,21,25)/b23-22+.
What are the key properties of [4-[[4-[(4-hydroxyphenyl)diazenyl]benzoyl]amino]phenyl]boronic acid?
[4-[[4-[(4-hydroxyphenyl)diazenyl]benzoyl]amino]phenyl]boronic acid has a molecular weight of 361.17 g/mol, XLogP of 2.74, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[4-[(4-hydroxyphenyl)diazenyl]benzoyl]amino]phenyl]boronic acid is sourced from PubChem (CID 136723540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).