N-[(E)-[5-[(2-chlorophenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]benzamide

C20H15ClN4O2 — CID 135578358

IUPACN-[(E)-[5-[(2-chlorophenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]benzamide
SMILESO=C(N/N=C/c1cc(/N=N/c2ccccc2Cl)ccc1O)c1ccccc1
InChIInChI=1S/C20H15ClN4O2/c21-17-8-4-5-9-18(17)24-23-16-10-11-19(26)15(12-16)13-22-25-20(27)14-6-2-1-3-7-14/h1-13,26H,(H,25,27)/b22-13+,24-23+
InChIKeyAZPCUTDWVIJTIK-QTANEOQUSA-N
MW378.82 g/mol
LogP5.22
Rot. Bonds5

About N-[(E)-[5-[(2-chlorophenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]benzamide

N-[(E)-[5-[(2-chlorophenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]benzamide (PubChem CID 135578358) has the molecular formula C20H15ClN4O2 and a molecular weight of 378.82 g/mol. Its IUPAC name is N-[(E)-[5-[(2-chlorophenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]benzamide.

Molecular Properties

Compound NameN-[(E)-[5-[(2-chlorophenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]benzamide
PubChem CID135578358
Molecular FormulaC20H15ClN4O2
Molecular Weight378.82 g/mol
Exact Mass378.09
IUPAC NameN-[(E)-[5-[(2-chlorophenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]benzamide
SMILESO=C(N/N=C/c1cc(/N=N/c2ccccc2Cl)ccc1O)c1ccccc1
InChIInChI=1S/C20H15ClN4O2/c21-17-8-4-5-9-18(17)24-23-16-10-11-19(26)15(12-16)13-22-25-20(27)14-6-2-1-3-7-14/h1-13,26H,(H,25,27)/b22-13+,24-23+
InChIKeyAZPCUTDWVIJTIK-QTANEOQUSA-N
XLogP5.22
TPSA86.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.82
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

methyl N-[(Z)-[5-[(2-chlorophenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]carbamate
CID 135783700
N-[[5-[(2-chlorophenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide
CID 3444435
4-fluoro-N-[(Z)-(2-hydroxy-5-phenyldiazenylphenyl)methylideneamino]benzamide
CID 135579258
2-(4-bromophenyl)-N-[(E)-[5-[(2-chlorophenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]acetamide
CID 135579462
3-chloro-N-[(Z)-(2-hydroxy-5-phenyldiazenylphenyl)methylideneamino]-4-methylbenzamide
CID 135759804
N-[(E)-[5-[(2-chlorophenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]-2-(4-phenylphenoxy)acetamide
CID 135590240
4-amino-N-[(Z)-[2-hydroxy-5-(naphthalen-1-yldiazenyl)phenyl]methylideneamino]benzamide
CID 135464584
N-[(E)-[5-[(2,4-dichlorophenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]pyridine-2-carboxamide
CID 155290954
N-[(Z)-(2-hydroxy-5-phenyldiazenylphenyl)methylideneamino]acetamide
CID 137023077
N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]benzamide
CID 135406892
N-[(Z)-[2-hydroxy-5-(naphthalen-1-yldiazenyl)phenyl]methylideneamino]-1,3-benzodioxole-5-carboxamide
CID 135897013
2-hydroxy-N-[(E)-(2-hydroxy-5-nitrosophenyl)methylideneamino]benzamide
CID 136502811

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[5-[(2-chlorophenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]benzamide?
The IUPAC name of N-[(E)-[5-[(2-chlorophenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]benzamide (CID 135578358) is N-[(E)-[5-[(2-chlorophenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]benzamide.
What is the SMILES notation for N-[(E)-[5-[(2-chlorophenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]benzamide?
The canonical SMILES for N-[(E)-[5-[(2-chlorophenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]benzamide is O=C(N/N=C/c1cc(/N=N/c2ccccc2Cl)ccc1O)c1ccccc1.
What is the InChIKey of N-[(E)-[5-[(2-chlorophenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]benzamide?
The InChIKey is AZPCUTDWVIJTIK-QTANEOQUSA-N. The full InChI is InChI=1S/C20H15ClN4O2/c21-17-8-4-5-9-18(17)24-23-16-10-11-19(26)15(12-16)13-22-25-20(27)14-6-2-1-3-7-14/h1-13,26H,(H,25,27)/b22-13+,24-23+.
What are the key properties of N-[(E)-[5-[(2-chlorophenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]benzamide?
N-[(E)-[5-[(2-chlorophenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]benzamide has a molecular weight of 378.82 g/mol, XLogP of 5.22, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[5-[(2-chlorophenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]benzamide is sourced from PubChem (CID 135578358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).