4-amino-N-[(Z)-[2-hydroxy-5-(naphthalen-1-yldiazenyl)phenyl]methylideneamino]benzamide

C24H19N5O2 — CID 135464584

IUPAC4-amino-N-[(Z)-[2-hydroxy-5-(naphthalen-1-yldiazenyl)phenyl]methylideneamino]benzamide
SMILESNc1ccc(C(=O)N/N=C\c2cc(/N=N/c3cccc4ccccc34)ccc2O)cc1
InChIInChI=1S/C24H19N5O2/c25-19-10-8-17(9-11-19)24(31)29-26-15-18-14-20(12-13-23(18)30)27-28-22-7-3-5-16-4-1-2-6-21(16)22/h1-15,30H,25H2,(H,29,31)/b26-15-,28-27+
InChIKeyDQKGBPUXEVJYAB-BBTJEBRRSA-N
MW409.45 g/mol
LogP5.31
Rot. Bonds5

About 4-amino-N-[(Z)-[2-hydroxy-5-(naphthalen-1-yldiazenyl)phenyl]methylideneamino]benzamide

4-amino-N-[(Z)-[2-hydroxy-5-(naphthalen-1-yldiazenyl)phenyl]methylideneamino]benzamide (PubChem CID 135464584) has the molecular formula C24H19N5O2 and a molecular weight of 409.45 g/mol. Its IUPAC name is 4-amino-N-[(Z)-[2-hydroxy-5-(naphthalen-1-yldiazenyl)phenyl]methylideneamino]benzamide.

Molecular Properties

Compound Name4-amino-N-[(Z)-[2-hydroxy-5-(naphthalen-1-yldiazenyl)phenyl]methylideneamino]benzamide
PubChem CID135464584
Molecular FormulaC24H19N5O2
Molecular Weight409.45 g/mol
Exact Mass409.15
IUPAC Name4-amino-N-[(Z)-[2-hydroxy-5-(naphthalen-1-yldiazenyl)phenyl]methylideneamino]benzamide
SMILESNc1ccc(C(=O)N/N=C\c2cc(/N=N/c3cccc4ccccc34)ccc2O)cc1
InChIInChI=1S/C24H19N5O2/c25-19-10-8-17(9-11-19)24(31)29-26-15-18-14-20(12-13-23(18)30)27-28-22-7-3-5-16-4-1-2-6-21(16)22/h1-15,30H,25H2,(H,29,31)/b26-15-,28-27+
InChIKeyDQKGBPUXEVJYAB-BBTJEBRRSA-N
XLogP5.31
TPSA112.43 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.45
LogP ≤ 55.31
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': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-[2-hydroxy-5-(naphthalen-1-yldiazenyl)phenyl]methylideneamino]-1,3-benzodioxole-5-carboxamide
CID 135897013
N-[(E)-[5-[(2-chlorophenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]benzamide
CID 135578358
4-fluoro-N-[(Z)-(2-hydroxy-5-phenyldiazenylphenyl)methylideneamino]benzamide
CID 135579258
4-amino-N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]benzamide
CID 135576312
N-[(E)-[2-hydroxy-5-(naphthalen-1-yldiazenyl)phenyl]methylideneamino]-2-(4-propan-2-ylphenoxy)acetamide
CID 135644246
3-amino-4-hydroxy-N-[(E)-naphthalen-1-ylmethylideneamino]benzamide
CID 59091698
4-hydroxy-N-[(Z)-naphthalen-1-ylmethylideneamino]benzamide
CID 5406601
N-[(Z)-naphthalen-1-ylmethylideneamino]benzamide
CID 5397614
4-amino-N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]benzamide;hydrate
CID 139084206
3-chloro-N-[(Z)-(2-hydroxy-5-phenyldiazenylphenyl)methylideneamino]-4-methylbenzamide
CID 135759804
2-[(Z)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-(naphthalen-1-yldiazenyl)phenol
CID 137059830
4-hydroxy-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
CID 135400287

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(Z)-[2-hydroxy-5-(naphthalen-1-yldiazenyl)phenyl]methylideneamino]benzamide?
The IUPAC name of 4-amino-N-[(Z)-[2-hydroxy-5-(naphthalen-1-yldiazenyl)phenyl]methylideneamino]benzamide (CID 135464584) is 4-amino-N-[(Z)-[2-hydroxy-5-(naphthalen-1-yldiazenyl)phenyl]methylideneamino]benzamide.
What is the SMILES notation for 4-amino-N-[(Z)-[2-hydroxy-5-(naphthalen-1-yldiazenyl)phenyl]methylideneamino]benzamide?
The canonical SMILES for 4-amino-N-[(Z)-[2-hydroxy-5-(naphthalen-1-yldiazenyl)phenyl]methylideneamino]benzamide is Nc1ccc(C(=O)N/N=C\c2cc(/N=N/c3cccc4ccccc34)ccc2O)cc1.
What is the InChIKey of 4-amino-N-[(Z)-[2-hydroxy-5-(naphthalen-1-yldiazenyl)phenyl]methylideneamino]benzamide?
The InChIKey is DQKGBPUXEVJYAB-BBTJEBRRSA-N. The full InChI is InChI=1S/C24H19N5O2/c25-19-10-8-17(9-11-19)24(31)29-26-15-18-14-20(12-13-23(18)30)27-28-22-7-3-5-16-4-1-2-6-21(16)22/h1-15,30H,25H2,(H,29,31)/b26-15-,28-27+.
What are the key properties of 4-amino-N-[(Z)-[2-hydroxy-5-(naphthalen-1-yldiazenyl)phenyl]methylideneamino]benzamide?
4-amino-N-[(Z)-[2-hydroxy-5-(naphthalen-1-yldiazenyl)phenyl]methylideneamino]benzamide has a molecular weight of 409.45 g/mol, XLogP of 5.31, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(Z)-[2-hydroxy-5-(naphthalen-1-yldiazenyl)phenyl]methylideneamino]benzamide is sourced from PubChem (CID 135464584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).