4-[(3,4-dihydroxyphenyl)diazenyl]-N-(4-ethenylphenyl)benzamide

C21H17N3O3 — CID 137158163

IUPAC4-[(3,4-dihydroxyphenyl)diazenyl]-N-(4-ethenylphenyl)benzamide
SMILESC=Cc1ccc(NC(=O)c2ccc(/N=N/c3ccc(O)c(O)c3)cc2)cc1
InChIInChI=1S/C21H17N3O3/c1-2-14-3-7-16(8-4-14)22-21(27)15-5-9-17(10-6-15)23-24-18-11-12-19(25)20(26)13-18/h2-13,25-26H,1H2,(H,22,27)/b24-23+
InChIKeyZEAXLOVIDOEFFJ-WCWDXBQESA-N
MW359.39 g/mol
LogP5.41
Rot. Bonds5

About 4-[(3,4-dihydroxyphenyl)diazenyl]-N-(4-ethenylphenyl)benzamide

4-[(3,4-dihydroxyphenyl)diazenyl]-N-(4-ethenylphenyl)benzamide (PubChem CID 137158163) has the molecular formula C21H17N3O3 and a molecular weight of 359.39 g/mol. Its IUPAC name is 4-[(3,4-dihydroxyphenyl)diazenyl]-N-(4-ethenylphenyl)benzamide.

Molecular Properties

Compound Name4-[(3,4-dihydroxyphenyl)diazenyl]-N-(4-ethenylphenyl)benzamide
PubChem CID137158163
Molecular FormulaC21H17N3O3
Molecular Weight359.39 g/mol
Exact Mass359.13
IUPAC Name4-[(3,4-dihydroxyphenyl)diazenyl]-N-(4-ethenylphenyl)benzamide
SMILESC=Cc1ccc(NC(=O)c2ccc(/N=N/c3ccc(O)c(O)c3)cc2)cc1
InChIInChI=1S/C21H17N3O3/c1-2-14-3-7-16(8-4-14)22-21(27)15-5-9-17(10-6-15)23-24-18-11-12-19(25)20(26)13-18/h2-13,25-26H,1H2,(H,22,27)/b24-23+
InChIKeyZEAXLOVIDOEFFJ-WCWDXBQESA-N
XLogP5.41
TPSA94.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.39
LogP ≤ 55.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

N-(4-aminophenyl)-4-ethenylbenzamide
CID 13082944
4-acetamido-N-[4-[(4-acetamidophenyl)diazenyl]phenyl]benzamide
CID 130360401
4-(aminomethyl)-N-(4-ethenylphenyl)benzamide
CID 166434633
4-amino-N-[4-[[4-[(4-aminobenzoyl)amino]phenyl]diazenyl]phenyl]benzamide
CID 134597340
N-(5-chloro-2-hydroxyphenyl)-4-ethenylbenzamide
CID 58895575
N-(4-ethenylphenyl)-4-(2-methylbutan-2-yl)benzamide
CID 59270019
[4-[[4-[(4-hydroxyphenyl)diazenyl]benzoyl]amino]phenyl]boronic acid
CID 136723540
ethane;N-phenyl-4-phenyldiazenylbenzamide
CID 159586308
5-[[4-[(4-amino-3-methylbenzoyl)amino]phenyl]diazenyl]-2-hydroxybenzoic acid
CID 3022919
(4-ethenylphenyl)carbamic acid
CID 22352089
N-[4-[(4-cyanophenyl)diazenyl]phenyl]benzamide
CID 58861214
N-[4-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]phenyl]furan-2-carboxamide
CID 53324776

Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-dihydroxyphenyl)diazenyl]-N-(4-ethenylphenyl)benzamide?
The IUPAC name of 4-[(3,4-dihydroxyphenyl)diazenyl]-N-(4-ethenylphenyl)benzamide (CID 137158163) is 4-[(3,4-dihydroxyphenyl)diazenyl]-N-(4-ethenylphenyl)benzamide.
What is the SMILES notation for 4-[(3,4-dihydroxyphenyl)diazenyl]-N-(4-ethenylphenyl)benzamide?
The canonical SMILES for 4-[(3,4-dihydroxyphenyl)diazenyl]-N-(4-ethenylphenyl)benzamide is C=Cc1ccc(NC(=O)c2ccc(/N=N/c3ccc(O)c(O)c3)cc2)cc1.
What is the InChIKey of 4-[(3,4-dihydroxyphenyl)diazenyl]-N-(4-ethenylphenyl)benzamide?
The InChIKey is ZEAXLOVIDOEFFJ-WCWDXBQESA-N. The full InChI is InChI=1S/C21H17N3O3/c1-2-14-3-7-16(8-4-14)22-21(27)15-5-9-17(10-6-15)23-24-18-11-12-19(25)20(26)13-18/h2-13,25-26H,1H2,(H,22,27)/b24-23+.
What are the key properties of 4-[(3,4-dihydroxyphenyl)diazenyl]-N-(4-ethenylphenyl)benzamide?
4-[(3,4-dihydroxyphenyl)diazenyl]-N-(4-ethenylphenyl)benzamide has a molecular weight of 359.39 g/mol, XLogP of 5.41, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-dihydroxyphenyl)diazenyl]-N-(4-ethenylphenyl)benzamide is sourced from PubChem (CID 137158163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).