2-hydroxy-N-[(E)-(2-hydroxy-5-phenyldiazenylphenyl)methylideneamino]-2-phenylacetamide

C21H18N4O3 — CID 135504378

IUPAC2-hydroxy-N-[(E)-(2-hydroxy-5-phenyldiazenylphenyl)methylideneamino]-2-phenylacetamide
SMILESO=C(N/N=C/c1cc(/N=N/c2ccccc2)ccc1O)C(O)c1ccccc1
InChIInChI=1S/C21H18N4O3/c26-19-12-11-18(24-23-17-9-5-2-6-10-17)13-16(19)14-22-25-21(28)20(27)15-7-3-1-4-8-15/h1-14,20,26-27H,(H,25,28)/b22-14+,24-23+
InChIKeyAWGHVJVAQRKEIR-OEGUDMMCSA-N
MW374.40 g/mol
LogP3.99
Rot. Bonds6

About 2-hydroxy-N-[(E)-(2-hydroxy-5-phenyldiazenylphenyl)methylideneamino]-2-phenylacetamide

2-hydroxy-N-[(E)-(2-hydroxy-5-phenyldiazenylphenyl)methylideneamino]-2-phenylacetamide (PubChem CID 135504378) has the molecular formula C21H18N4O3 and a molecular weight of 374.40 g/mol. Its IUPAC name is 2-hydroxy-N-[(E)-(2-hydroxy-5-phenyldiazenylphenyl)methylideneamino]-2-phenylacetamide.

Molecular Properties

Compound Name2-hydroxy-N-[(E)-(2-hydroxy-5-phenyldiazenylphenyl)methylideneamino]-2-phenylacetamide
PubChem CID135504378
Molecular FormulaC21H18N4O3
Molecular Weight374.40 g/mol
Exact Mass374.14
IUPAC Name2-hydroxy-N-[(E)-(2-hydroxy-5-phenyldiazenylphenyl)methylideneamino]-2-phenylacetamide
SMILESO=C(N/N=C/c1cc(/N=N/c2ccccc2)ccc1O)C(O)c1ccccc1
InChIInChI=1S/C21H18N4O3/c26-19-12-11-18(24-23-17-9-5-2-6-10-17)13-16(19)14-22-25-21(28)20(27)15-7-3-1-4-8-15/h1-14,20,26-27H,(H,25,28)/b22-14+,24-23+
InChIKeyAWGHVJVAQRKEIR-OEGUDMMCSA-N
XLogP3.99
TPSA106.64 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 53.99
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

(2R)-2-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-phenylacetamide
CID 135674788
2-hydroxy-N-[(2-hydroxy-5-iodophenyl)methylideneamino]-2-phenylacetamide
CID 3909034
N-[(Z)-(2-hydroxy-5-phenyldiazenylphenyl)methylideneamino]acetamide
CID 137023077
4-fluoro-N-[(Z)-(2-hydroxy-5-phenyldiazenylphenyl)methylideneamino]benzamide
CID 135579258
N-[(3,4-dihydroxyphenyl)methylideneamino]-2-hydroxy-2-phenylacetamide
CID 4618895
(2R)-2-hydroxy-N-[(Z)-(2-hydroxy-4-methylphenyl)methylideneamino]-2-phenylacetamide
CID 136912785
3-chloro-N-[(Z)-(2-hydroxy-5-phenyldiazenylphenyl)methylideneamino]-4-methylbenzamide
CID 135759804
N-[(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]-2-hydroxy-2-phenylacetamide
CID 2853257
N-[(E)-(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]-2-hydroxy-2-phenylacetamide
CID 135479570
(2R)-N-[(Z)-(2,4-dimethylphenyl)methylideneamino]-2-hydroxy-2-phenylacetamide
CID 5414506
(2R)-2-hydroxy-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-phenylacetamide
CID 135832660
2-(2,4-dimethylphenoxy)-N-[(2-hydroxy-5-phenyldiazenylphenyl)methylideneamino]acetamide
CID 2833137

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[(E)-(2-hydroxy-5-phenyldiazenylphenyl)methylideneamino]-2-phenylacetamide?
The IUPAC name of 2-hydroxy-N-[(E)-(2-hydroxy-5-phenyldiazenylphenyl)methylideneamino]-2-phenylacetamide (CID 135504378) is 2-hydroxy-N-[(E)-(2-hydroxy-5-phenyldiazenylphenyl)methylideneamino]-2-phenylacetamide.
What is the SMILES notation for 2-hydroxy-N-[(E)-(2-hydroxy-5-phenyldiazenylphenyl)methylideneamino]-2-phenylacetamide?
The canonical SMILES for 2-hydroxy-N-[(E)-(2-hydroxy-5-phenyldiazenylphenyl)methylideneamino]-2-phenylacetamide is O=C(N/N=C/c1cc(/N=N/c2ccccc2)ccc1O)C(O)c1ccccc1.
What is the InChIKey of 2-hydroxy-N-[(E)-(2-hydroxy-5-phenyldiazenylphenyl)methylideneamino]-2-phenylacetamide?
The InChIKey is AWGHVJVAQRKEIR-OEGUDMMCSA-N. The full InChI is InChI=1S/C21H18N4O3/c26-19-12-11-18(24-23-17-9-5-2-6-10-17)13-16(19)14-22-25-21(28)20(27)15-7-3-1-4-8-15/h1-14,20,26-27H,(H,25,28)/b22-14+,24-23+.
What are the key properties of 2-hydroxy-N-[(E)-(2-hydroxy-5-phenyldiazenylphenyl)methylideneamino]-2-phenylacetamide?
2-hydroxy-N-[(E)-(2-hydroxy-5-phenyldiazenylphenyl)methylideneamino]-2-phenylacetamide has a molecular weight of 374.40 g/mol, XLogP of 3.99, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[(E)-(2-hydroxy-5-phenyldiazenylphenyl)methylideneamino]-2-phenylacetamide is sourced from PubChem (CID 135504378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).