[(E)-[5-[(4-acetylphenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]urea

C16H15N5O3 — CID 135698985

IUPAC[(E)-[5-[(4-acetylphenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]urea
SMILESCC(=O)c1ccc(/N=N/c2ccc(O)c(/C=N/NC(N)=O)c2)cc1
InChIInChI=1S/C16H15N5O3/c1-10(22)11-2-4-13(5-3-11)19-20-14-6-7-15(23)12(8-14)9-18-21-16(17)24/h2-9,23H,1H3,(H3,17,21,24)/b18-9+,20-19+
InChIKeyDIHNBGZSWCBWLQ-HWEFLWFZSA-N
MW325.33 g/mol
LogP3.01
Rot. Bonds5

About [(E)-[5-[(4-acetylphenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]urea

[(E)-[5-[(4-acetylphenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]urea (PubChem CID 135698985) has the molecular formula C16H15N5O3 and a molecular weight of 325.33 g/mol. Its IUPAC name is [(E)-[5-[(4-acetylphenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]urea.

Molecular Properties

Compound Name[(E)-[5-[(4-acetylphenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]urea
PubChem CID135698985
Molecular FormulaC16H15N5O3
Molecular Weight325.33 g/mol
Exact Mass325.12
IUPAC Name[(E)-[5-[(4-acetylphenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]urea
SMILESCC(=O)c1ccc(/N=N/c2ccc(O)c(/C=N/NC(N)=O)c2)cc1
InChIInChI=1S/C16H15N5O3/c1-10(22)11-2-4-13(5-3-11)19-20-14-6-7-15(23)12(8-14)9-18-21-16(17)24/h2-9,23H,1H3,(H3,17,21,24)/b18-9+,20-19+
InChIKeyDIHNBGZSWCBWLQ-HWEFLWFZSA-N
XLogP3.01
TPSA129.50 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.33
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-(2-hydroxy-5-phenyldiazenylphenyl)methylideneamino]acetamide
CID 137023077
[(2,5-dihydroxyphenyl)methylideneamino]urea
CID 5052012
[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]urea
CID 135521536
4-fluoro-N-[(Z)-(2-hydroxy-5-phenyldiazenylphenyl)methylideneamino]benzamide
CID 135579258
[[5-[(4-chlorophenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]thiourea
CID 135990550
3-chloro-N-[(Z)-(2-hydroxy-5-phenyldiazenylphenyl)methylideneamino]-4-methylbenzamide
CID 135759804
[(Z)-(2-hydroxyphenyl)methylideneamino]urea
CID 135741564
[(Z)-[2-hydroxy-5-(3-methylphenyl)phenyl]methylideneamino]urea
CID 136506570
2-hydroxy-N-[(E)-(2-hydroxy-5-phenyldiazenylphenyl)methylideneamino]-2-phenylacetamide
CID 135504378
4-amino-N-[(Z)-[2-hydroxy-5-(naphthalen-1-yldiazenyl)phenyl]methylideneamino]benzamide
CID 135464584
methyl 4-[(3-formyl-4-hydroxyphenyl)diazenyl]benzoate
CID 136794481
N-[(E)-[5-[(2-chlorophenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]benzamide
CID 135578358

Frequently Asked Questions

What is the IUPAC name of [(E)-[5-[(4-acetylphenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]urea?
The IUPAC name of [(E)-[5-[(4-acetylphenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]urea (CID 135698985) is [(E)-[5-[(4-acetylphenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]urea.
What is the SMILES notation for [(E)-[5-[(4-acetylphenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]urea?
The canonical SMILES for [(E)-[5-[(4-acetylphenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]urea is CC(=O)c1ccc(/N=N/c2ccc(O)c(/C=N/NC(N)=O)c2)cc1.
What is the InChIKey of [(E)-[5-[(4-acetylphenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]urea?
The InChIKey is DIHNBGZSWCBWLQ-HWEFLWFZSA-N. The full InChI is InChI=1S/C16H15N5O3/c1-10(22)11-2-4-13(5-3-11)19-20-14-6-7-15(23)12(8-14)9-18-21-16(17)24/h2-9,23H,1H3,(H3,17,21,24)/b18-9+,20-19+.
What are the key properties of [(E)-[5-[(4-acetylphenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]urea?
[(E)-[5-[(4-acetylphenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]urea has a molecular weight of 325.33 g/mol, XLogP of 3.01, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-[5-[(4-acetylphenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]urea is sourced from PubChem (CID 135698985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).