4-amino-N-[(Z)-[5-[(3,4-dimethylphenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]benzamide

C22H21N5O2 — CID 135464585

IUPAC4-amino-N-[(Z)-[5-[(3,4-dimethylphenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]benzamide
SMILESCc1ccc(/N=N/c2ccc(O)c(/C=N\NC(=O)c3ccc(N)cc3)c2)cc1C
InChIInChI=1S/C22H21N5O2/c1-14-3-8-19(11-15(14)2)25-26-20-9-10-21(28)17(12-20)13-24-27-22(29)16-4-6-18(23)7-5-16/h3-13,28H,23H2,1-2H3,(H,27,29)/b24-13-,26-25+
InChIKeyXVOBGLSAVMMBSJ-LFOKZAPISA-N
MW387.44 g/mol
LogP4.77
Rot. Bonds5

About 4-amino-N-[(Z)-[5-[(3,4-dimethylphenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]benzamide

4-amino-N-[(Z)-[5-[(3,4-dimethylphenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]benzamide (PubChem CID 135464585) has the molecular formula C22H21N5O2 and a molecular weight of 387.44 g/mol. Its IUPAC name is 4-amino-N-[(Z)-[5-[(3,4-dimethylphenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]benzamide.

Molecular Properties

Compound Name4-amino-N-[(Z)-[5-[(3,4-dimethylphenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]benzamide
PubChem CID135464585
Molecular FormulaC22H21N5O2
Molecular Weight387.44 g/mol
Exact Mass387.17
IUPAC Name4-amino-N-[(Z)-[5-[(3,4-dimethylphenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]benzamide
SMILESCc1ccc(/N=N/c2ccc(O)c(/C=N\NC(=O)c3ccc(N)cc3)c2)cc1C
InChIInChI=1S/C22H21N5O2/c1-14-3-8-19(11-15(14)2)25-26-20-9-10-21(28)17(12-20)13-24-27-22(29)16-4-6-18(23)7-5-16/h3-13,28H,23H2,1-2H3,(H,27,29)/b24-13-,26-25+
InChIKeyXVOBGLSAVMMBSJ-LFOKZAPISA-N
XLogP4.77
TPSA112.43 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 54.77
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

4-Aminobenzoic (2-hydroxybenzylidene)hydrazide
CID 135408682
N'-[(E)-(2-hydroxy-5-nitrophenyl)methylidene]naphthalene-1-carbohydrazide
CID 135403159
N'-(2-hydroxy-5-nitrobenzylidene)-4-nitrobenzohydrazide
CID 86261394
4-Amino-benzoic acid [2-hydroxy-5-(naphthalen-1-ylazo)-benzylidene]-hydrazide
CID 135464584
N-[(E)-(4-hydroxyphenyl)methylideneamino]-3-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]benzamide
CID 135576476
N-[(2-hydroxy-5-nitrophenyl)methylideneamino]naphthalene-1-carboxamide
CID 3336159
N-[(2-hydroxy-5-nitrophenyl)methylideneamino]-4-(propanoylamino)benzamide
CID 4509211
N-(4-{N'-[(E)-(4-Hydroxyphenyl)methylidene]hydrazinecarbonyl}phenyl)-2-methylbenzamide
CID 135560243
4-Amino-benzoic acid (4-hydroxy-naphthalen-1-ylmethylene)-hydrazide
CID 135471545
5-Amino-N'-[(Z)-[4-(dimethylamino)phenyl]methylidene]-2-hydroxybenzohydrazide
CID 6162147
4-(1,3-dihydro-2H-isoindol-2-yl)-N'-(2-hydroxybenzylidene)benzohydrazide
CID 135470793
4-amino-N-[(Z)-[2,4-dihydroxy-6-[(E)-2-(4-hydroxyphenyl)ethenyl]phenyl]methylideneamino]benzamide
CID 177656161

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(Z)-[5-[(3,4-dimethylphenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]benzamide?
The IUPAC name of 4-amino-N-[(Z)-[5-[(3,4-dimethylphenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]benzamide (CID 135464585) is 4-amino-N-[(Z)-[5-[(3,4-dimethylphenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]benzamide.
What is the SMILES notation for 4-amino-N-[(Z)-[5-[(3,4-dimethylphenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]benzamide?
The canonical SMILES for 4-amino-N-[(Z)-[5-[(3,4-dimethylphenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]benzamide is Cc1ccc(/N=N/c2ccc(O)c(/C=N\NC(=O)c3ccc(N)cc3)c2)cc1C.
What is the InChIKey of 4-amino-N-[(Z)-[5-[(3,4-dimethylphenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]benzamide?
The InChIKey is XVOBGLSAVMMBSJ-LFOKZAPISA-N. The full InChI is InChI=1S/C22H21N5O2/c1-14-3-8-19(11-15(14)2)25-26-20-9-10-21(28)17(12-20)13-24-27-22(29)16-4-6-18(23)7-5-16/h3-13,28H,23H2,1-2H3,(H,27,29)/b24-13-,26-25+.
What are the key properties of 4-amino-N-[(Z)-[5-[(3,4-dimethylphenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]benzamide?
4-amino-N-[(Z)-[5-[(3,4-dimethylphenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]benzamide has a molecular weight of 387.44 g/mol, XLogP of 4.77, 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)-[5-[(3,4-dimethylphenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]benzamide is sourced from PubChem (CID 135464585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).