N-[3-[(2-acetamidophenyl)diazenyl]-2-hydroxyphenyl]acetamide

C16H16N4O3 — CID 541079

IUPACN-[3-[(2-acetamidophenyl)diazenyl]-2-hydroxyphenyl]acetamide
SMILESCC(=O)Nc1ccccc1/N=N/c1cccc(NC(C)=O)c1O
InChIInChI=1S/C16H16N4O3/c1-10(21)17-12-6-3-4-7-13(12)19-20-15-9-5-8-14(16(15)23)18-11(2)22/h3-9,23H,1-2H3,(H,17,21)(H,18,22)/b20-19+
InChIKeyLWFGXZLLDOKPSB-FMQUCBEESA-N
MW312.33 g/mol
LogP3.72
Rot. Bonds4

About N-[3-[(2-acetamidophenyl)diazenyl]-2-hydroxyphenyl]acetamide

N-[3-[(2-acetamidophenyl)diazenyl]-2-hydroxyphenyl]acetamide (PubChem CID 541079) has the molecular formula C16H16N4O3 and a molecular weight of 312.33 g/mol. Its IUPAC name is N-[3-[(2-acetamidophenyl)diazenyl]-2-hydroxyphenyl]acetamide.

Molecular Properties

Compound NameN-[3-[(2-acetamidophenyl)diazenyl]-2-hydroxyphenyl]acetamide
PubChem CID541079
Molecular FormulaC16H16N4O3
Molecular Weight312.33 g/mol
Exact Mass312.12
IUPAC NameN-[3-[(2-acetamidophenyl)diazenyl]-2-hydroxyphenyl]acetamide
SMILESCC(=O)Nc1ccccc1/N=N/c1cccc(NC(C)=O)c1O
InChIInChI=1S/C16H16N4O3/c1-10(21)17-12-6-3-4-7-13(12)19-20-15-9-5-8-14(16(15)23)18-11(2)22/h3-9,23H,1-2H3,(H,17,21)(H,18,22)/b20-19+
InChIKeyLWFGXZLLDOKPSB-FMQUCBEESA-N
XLogP3.72
TPSA103.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 53.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-[2-[(2-acetamidophenyl)diazenyl]phenyl]ethenyl]phenyl]acetamide
CID 633952
N-[2-(methylideneamino)phenyl]acetamide
CID 134593356
N-(2-azidophenyl)acetamide
CID 91902655
3-acetamido-2-hydroxybenzamide
CID 66833068
sodium 2-acetamidobenzoate
CID 23702638
(3-acetamido-2-hydroxyphenyl)arsonic acid
CID 154325288
N-(5-methyl-2-phenyldiazenylphenyl)acetamide
CID 154602849
N-[8-hydroxy-7-[(2-methoxyphenyl)diazenyl]-3-methylnaphthalen-1-yl]acetamide
CID 136634815
2-hydroxy-4-[[2-(2-methylprop-2-enoylamino)phenyl]diazenyl]benzoic acid
CID 22035165
N-[2-(methylamino)phenyl]acetamide
CID 22950987
2-[[2-(methylamino)phenyl]diazenyl]phenol
CID 136646465
N-(3-acetamidoazulen-1-yl)acetamide
CID 86151929

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-acetamidophenyl)diazenyl]-2-hydroxyphenyl]acetamide?
The IUPAC name of N-[3-[(2-acetamidophenyl)diazenyl]-2-hydroxyphenyl]acetamide (CID 541079) is N-[3-[(2-acetamidophenyl)diazenyl]-2-hydroxyphenyl]acetamide.
What is the SMILES notation for N-[3-[(2-acetamidophenyl)diazenyl]-2-hydroxyphenyl]acetamide?
The canonical SMILES for N-[3-[(2-acetamidophenyl)diazenyl]-2-hydroxyphenyl]acetamide is CC(=O)Nc1ccccc1/N=N/c1cccc(NC(C)=O)c1O.
What is the InChIKey of N-[3-[(2-acetamidophenyl)diazenyl]-2-hydroxyphenyl]acetamide?
The InChIKey is LWFGXZLLDOKPSB-FMQUCBEESA-N. The full InChI is InChI=1S/C16H16N4O3/c1-10(21)17-12-6-3-4-7-13(12)19-20-15-9-5-8-14(16(15)23)18-11(2)22/h3-9,23H,1-2H3,(H,17,21)(H,18,22)/b20-19+.
What are the key properties of N-[3-[(2-acetamidophenyl)diazenyl]-2-hydroxyphenyl]acetamide?
N-[3-[(2-acetamidophenyl)diazenyl]-2-hydroxyphenyl]acetamide has a molecular weight of 312.33 g/mol, XLogP of 3.72, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-acetamidophenyl)diazenyl]-2-hydroxyphenyl]acetamide is sourced from PubChem (CID 541079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).