4-fluoro-N-[(Z)-(2-hydroxy-5-phenyldiazenylphenyl)methylideneamino]benzamide

C20H15FN4O2 — CID 135579258

IUPAC4-fluoro-N-[(Z)-(2-hydroxy-5-phenyldiazenylphenyl)methylideneamino]benzamide
SMILESO=C(N/N=C\c1cc(/N=N/c2ccccc2)ccc1O)c1ccc(F)cc1
InChIInChI=1S/C20H15FN4O2/c21-16-8-6-14(7-9-16)20(27)25-22-13-15-12-18(10-11-19(15)26)24-23-17-4-2-1-3-5-17/h1-13,26H,(H,25,27)/b22-13-,24-23+
InChIKeyQHDFNEVRWJQXMA-SFPXKAPDSA-N
MW362.36 g/mol
LogP4.71
Rot. Bonds5

About 4-fluoro-N-[(Z)-(2-hydroxy-5-phenyldiazenylphenyl)methylideneamino]benzamide

4-fluoro-N-[(Z)-(2-hydroxy-5-phenyldiazenylphenyl)methylideneamino]benzamide (PubChem CID 135579258) has the molecular formula C20H15FN4O2 and a molecular weight of 362.36 g/mol. Its IUPAC name is 4-fluoro-N-[(Z)-(2-hydroxy-5-phenyldiazenylphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[(Z)-(2-hydroxy-5-phenyldiazenylphenyl)methylideneamino]benzamide
PubChem CID135579258
Molecular FormulaC20H15FN4O2
Molecular Weight362.36 g/mol
Exact Mass362.12
IUPAC Name4-fluoro-N-[(Z)-(2-hydroxy-5-phenyldiazenylphenyl)methylideneamino]benzamide
SMILESO=C(N/N=C\c1cc(/N=N/c2ccccc2)ccc1O)c1ccc(F)cc1
InChIInChI=1S/C20H15FN4O2/c21-16-8-6-14(7-9-16)20(27)25-22-13-15-12-18(10-11-19(15)26)24-23-17-4-2-1-3-5-17/h1-13,26H,(H,25,27)/b22-13-,24-23+
InChIKeyQHDFNEVRWJQXMA-SFPXKAPDSA-N
XLogP4.71
TPSA86.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.36
LogP ≤ 54.71
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

3-chloro-N-[(Z)-(2-hydroxy-5-phenyldiazenylphenyl)methylideneamino]-4-methylbenzamide
CID 135759804
N-[(E)-[5-[(2-chlorophenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]benzamide
CID 135578358
N-[(Z)-(2-hydroxy-5-phenyldiazenylphenyl)methylideneamino]acetamide
CID 137023077
N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-4-fluorobenzamide
CID 771428
4-fluoro-N-[(2-hydroxy-5-iodophenyl)methylideneamino]benzamide
CID 4220213
4-amino-N-[(Z)-[2-hydroxy-5-(naphthalen-1-yldiazenyl)phenyl]methylideneamino]benzamide
CID 135464584
2-hydroxy-N-[(E)-(2-hydroxy-5-phenyldiazenylphenyl)methylideneamino]-2-phenylacetamide
CID 135504378
N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]benzamide
CID 135406892
5-bromo-N-[(E)-(2-hydroxy-5-phenyldiazenylphenyl)methylideneamino]-1-benzofuran-2-carboxamide
CID 137173960
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-phenylbenzamide
CID 135738438
3-[(4-fluorobenzoyl)amino]-N-[(Z)-(2-hydroxyphenyl)methylideneamino]benzamide
CID 136746485
3-[(4-fluorobenzoyl)amino]-N-[(E)-(2-hydroxyphenyl)methylideneamino]benzamide
CID 135957362

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(Z)-(2-hydroxy-5-phenyldiazenylphenyl)methylideneamino]benzamide?
The IUPAC name of 4-fluoro-N-[(Z)-(2-hydroxy-5-phenyldiazenylphenyl)methylideneamino]benzamide (CID 135579258) is 4-fluoro-N-[(Z)-(2-hydroxy-5-phenyldiazenylphenyl)methylideneamino]benzamide.
What is the SMILES notation for 4-fluoro-N-[(Z)-(2-hydroxy-5-phenyldiazenylphenyl)methylideneamino]benzamide?
The canonical SMILES for 4-fluoro-N-[(Z)-(2-hydroxy-5-phenyldiazenylphenyl)methylideneamino]benzamide is O=C(N/N=C\c1cc(/N=N/c2ccccc2)ccc1O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[(Z)-(2-hydroxy-5-phenyldiazenylphenyl)methylideneamino]benzamide?
The InChIKey is QHDFNEVRWJQXMA-SFPXKAPDSA-N. The full InChI is InChI=1S/C20H15FN4O2/c21-16-8-6-14(7-9-16)20(27)25-22-13-15-12-18(10-11-19(15)26)24-23-17-4-2-1-3-5-17/h1-13,26H,(H,25,27)/b22-13-,24-23+.
What are the key properties of 4-fluoro-N-[(Z)-(2-hydroxy-5-phenyldiazenylphenyl)methylideneamino]benzamide?
4-fluoro-N-[(Z)-(2-hydroxy-5-phenyldiazenylphenyl)methylideneamino]benzamide has a molecular weight of 362.36 g/mol, XLogP of 4.71, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(Z)-(2-hydroxy-5-phenyldiazenylphenyl)methylideneamino]benzamide is sourced from PubChem (CID 135579258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).