N-[4-[4-[(4-hydroxyphenyl)diazenyl]phenyl]phenyl]acetamide

C20H17N3O2 — CID 137186099

IUPACN-[4-[4-[(4-hydroxyphenyl)diazenyl]phenyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2ccc(/N=N/c3ccc(O)cc3)cc2)cc1
InChIInChI=1S/C20H17N3O2/c1-14(24)21-17-6-2-15(3-7-17)16-4-8-18(9-5-16)22-23-19-10-12-20(25)13-11-19/h2-13,25H,1H3,(H,21,24)/b23-22+
InChIKeyIOUQNEDGDCPSAA-GHVJWSGMSA-N
MW331.38 g/mol
LogP5.43
Rot. Bonds4

About N-[4-[4-[(4-hydroxyphenyl)diazenyl]phenyl]phenyl]acetamide

N-[4-[4-[(4-hydroxyphenyl)diazenyl]phenyl]phenyl]acetamide (PubChem CID 137186099) has the molecular formula C20H17N3O2 and a molecular weight of 331.38 g/mol. Its IUPAC name is N-[4-[4-[(4-hydroxyphenyl)diazenyl]phenyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[4-[(4-hydroxyphenyl)diazenyl]phenyl]phenyl]acetamide
PubChem CID137186099
Molecular FormulaC20H17N3O2
Molecular Weight331.38 g/mol
Exact Mass331.13
IUPAC NameN-[4-[4-[(4-hydroxyphenyl)diazenyl]phenyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2ccc(/N=N/c3ccc(O)cc3)cc2)cc1
InChIInChI=1S/C20H17N3O2/c1-14(24)21-17-6-2-15(3-7-17)16-4-8-18(9-5-16)22-23-19-10-12-20(25)13-11-19/h2-13,25H,1H3,(H,21,24)/b23-22+
InChIKeyIOUQNEDGDCPSAA-GHVJWSGMSA-N
XLogP5.43
TPSA74.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.38
LogP ≤ 55.43
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

N-[4-(4-phenyldiazenylphenyl)phenyl]acetamide
CID 2749691
N-(4-hydroxyphenyl)acetamide;dihydrate
CID 140999210
N-(4-hydroxyphenyl)acetamide;iron
CID 69304461
bis(N-(4-hydroxyphenyl)acetamide);zirconium(2+);dichloride
CID 174353959
lithium;hydride;N-(4-hydroxyphenyl)acetamide;hexahydrate
CID 173295896
4-acetamido-N-[4-[(4-acetamidophenyl)diazenyl]phenyl]benzamide
CID 130360401
N-(4-hydroxyphenyl)acetamide;N-phenylacetamide
CID 174809741
N-[4-[4-[[4-(2-sulfanyloxyethyl)phenyl]diazenyl]phenyl]phenyl]acetamide
CID 145063825
N-[4-[[4-[(4-cyanophenyl)diazenyl]phenyl]diazenyl]phenyl]acetamide
CID 126494635
N-[4-(4-hydroxybenzoyl)phenyl]acetamide
CID 91710939
N-(4-phenylphenyl)acetamide
CID 19998
N-(4-hydroxyphenyl)acetamide;piperazine
CID 67107882

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[(4-hydroxyphenyl)diazenyl]phenyl]phenyl]acetamide?
The IUPAC name of N-[4-[4-[(4-hydroxyphenyl)diazenyl]phenyl]phenyl]acetamide (CID 137186099) is N-[4-[4-[(4-hydroxyphenyl)diazenyl]phenyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[4-[(4-hydroxyphenyl)diazenyl]phenyl]phenyl]acetamide?
The canonical SMILES for N-[4-[4-[(4-hydroxyphenyl)diazenyl]phenyl]phenyl]acetamide is CC(=O)Nc1ccc(-c2ccc(/N=N/c3ccc(O)cc3)cc2)cc1.
What is the InChIKey of N-[4-[4-[(4-hydroxyphenyl)diazenyl]phenyl]phenyl]acetamide?
The InChIKey is IOUQNEDGDCPSAA-GHVJWSGMSA-N. The full InChI is InChI=1S/C20H17N3O2/c1-14(24)21-17-6-2-15(3-7-17)16-4-8-18(9-5-16)22-23-19-10-12-20(25)13-11-19/h2-13,25H,1H3,(H,21,24)/b23-22+.
What are the key properties of N-[4-[4-[(4-hydroxyphenyl)diazenyl]phenyl]phenyl]acetamide?
N-[4-[4-[(4-hydroxyphenyl)diazenyl]phenyl]phenyl]acetamide has a molecular weight of 331.38 g/mol, XLogP of 5.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[(4-hydroxyphenyl)diazenyl]phenyl]phenyl]acetamide is sourced from PubChem (CID 137186099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).