ethyl 4-[(4-formamidophenyl)diazenyl]benzoate

C16H15N3O3 — CID 577472

IUPACethyl 4-[(4-formamidophenyl)diazenyl]benzoate
SMILESCCOC(=O)c1ccc(/N=N/c2ccc(NC=O)cc2)cc1
InChIInChI=1S/C16H15N3O3/c1-2-22-16(21)12-3-5-14(6-4-12)18-19-15-9-7-13(8-10-15)17-11-20/h3-11H,2H2,1H3,(H,17,20)/b19-18+
InChIKeyHRUMPZIDXZPQEQ-VHEBQXMUSA-N
MW297.31 g/mol
LogP3.85
Rot. Bonds6

About ethyl 4-[(4-formamidophenyl)diazenyl]benzoate

ethyl 4-[(4-formamidophenyl)diazenyl]benzoate (PubChem CID 577472) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is ethyl 4-[(4-formamidophenyl)diazenyl]benzoate.

Molecular Properties

Compound Nameethyl 4-[(4-formamidophenyl)diazenyl]benzoate
PubChem CID577472
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC Nameethyl 4-[(4-formamidophenyl)diazenyl]benzoate
SMILESCCOC(=O)c1ccc(/N=N/c2ccc(NC=O)cc2)cc1
InChIInChI=1S/C16H15N3O3/c1-2-22-16(21)12-3-5-14(6-4-12)18-19-15-9-7-13(8-10-15)17-11-20/h3-11H,2H2,1H3,(H,17,20)/b19-18+
InChIKeyHRUMPZIDXZPQEQ-VHEBQXMUSA-N
XLogP3.85
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-[[4-[[4-(2-hydroxyethylamino)phenyl]diazenyl]phenyl]diazenyl]benzoate
CID 145141087
benzyl 4-formamidobenzoate
CID 100979442
ethyl 4-(thiophen-2-yldiazenyl)benzoate
CID 102298943
ethyl 4-[(4-but-3-enoxyphenyl)diazenyl]benzoate
CID 165352761
ethyl 4-[[1,2-diamino-2-(4-ethoxycarbonylphenyl)iminoethylidene]amino]benzoate
CID 6341789
ethyl 4-[(2-methanehydrazonoylhydrazinyl)methylideneamino]benzoate
CID 57360950
ethyl 4-[(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)diazenyl]benzoate
CID 4078979
ethyl 4-(cyclopropylmethylamino)benzoate
CID 43654962
ethyl 4-(pyrrolidin-1-yldiazenyl)benzoate
CID 139203232
ethyl 4-[[3-(4-chlorophenyl)-3-oxoprop-1-enyl]amino]benzoate
CID 781815
ethyl 4-[[(E)-3-(4-bromophenyl)-3-oxoprop-1-enyl]amino]benzoate
CID 2189654
ethyl 4-[[4-[ethyl(2-hydroxyethyl)amino]phenyl]diazenyl]benzoate
CID 71344599

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(4-formamidophenyl)diazenyl]benzoate?
The IUPAC name of ethyl 4-[(4-formamidophenyl)diazenyl]benzoate (CID 577472) is ethyl 4-[(4-formamidophenyl)diazenyl]benzoate.
What is the SMILES notation for ethyl 4-[(4-formamidophenyl)diazenyl]benzoate?
The canonical SMILES for ethyl 4-[(4-formamidophenyl)diazenyl]benzoate is CCOC(=O)c1ccc(/N=N/c2ccc(NC=O)cc2)cc1.
What is the InChIKey of ethyl 4-[(4-formamidophenyl)diazenyl]benzoate?
The InChIKey is HRUMPZIDXZPQEQ-VHEBQXMUSA-N. The full InChI is InChI=1S/C16H15N3O3/c1-2-22-16(21)12-3-5-14(6-4-12)18-19-15-9-7-13(8-10-15)17-11-20/h3-11H,2H2,1H3,(H,17,20)/b19-18+.
What are the key properties of ethyl 4-[(4-formamidophenyl)diazenyl]benzoate?
ethyl 4-[(4-formamidophenyl)diazenyl]benzoate has a molecular weight of 297.31 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(4-formamidophenyl)diazenyl]benzoate is sourced from PubChem (CID 577472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).