(2Z)-2-[(E)-1-(5-fluoro-2-hydroxyphenyl)ethylidenehydrazinylidene]-1,2-diphenylethanone

C22H17FN2O2 — CID 135775351

IUPAC(2Z)-2-[(E)-1-(5-fluoro-2-hydroxyphenyl)ethylidenehydrazinylidene]-1,2-diphenylethanone
SMILESC/C(=N\N=C(/C(=O)c1ccccc1)c1ccccc1)c1cc(F)ccc1O
InChIInChI=1S/C22H17FN2O2/c1-15(19-14-18(23)12-13-20(19)26)24-25-21(16-8-4-2-5-9-16)22(27)17-10-6-3-7-11-17/h2-14,26H,1H3/b24-15+,25-21-
InChIKeySXFNOZNHPISVCW-USOZENSSSA-N
MW360.39 g/mol
LogP4.63
Rot. Bonds5

About (2Z)-2-[(E)-1-(5-fluoro-2-hydroxyphenyl)ethylidenehydrazinylidene]-1,2-diphenylethanone

(2Z)-2-[(E)-1-(5-fluoro-2-hydroxyphenyl)ethylidenehydrazinylidene]-1,2-diphenylethanone (PubChem CID 135775351) has the molecular formula C22H17FN2O2 and a molecular weight of 360.39 g/mol. Its IUPAC name is (2Z)-2-[(E)-1-(5-fluoro-2-hydroxyphenyl)ethylidenehydrazinylidene]-1,2-diphenylethanone.

Molecular Properties

Compound Name(2Z)-2-[(E)-1-(5-fluoro-2-hydroxyphenyl)ethylidenehydrazinylidene]-1,2-diphenylethanone
PubChem CID135775351
Molecular FormulaC22H17FN2O2
Molecular Weight360.39 g/mol
Exact Mass360.13
IUPAC Name(2Z)-2-[(E)-1-(5-fluoro-2-hydroxyphenyl)ethylidenehydrazinylidene]-1,2-diphenylethanone
SMILESC/C(=N\N=C(/C(=O)c1ccccc1)c1ccccc1)c1cc(F)ccc1O
InChIInChI=1S/C22H17FN2O2/c1-15(19-14-18(23)12-13-20(19)26)24-25-21(16-8-4-2-5-9-16)22(27)17-10-6-3-7-11-17/h2-14,26H,1H3/b24-15+,25-21-
InChIKeySXFNOZNHPISVCW-USOZENSSSA-N
XLogP4.63
TPSA62.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(E)-1-(5-fluoro-2-hydroxyphenyl)ethylidenehydrazinylidene]-1,2-diphenylethanone?
The IUPAC name of (2Z)-2-[(E)-1-(5-fluoro-2-hydroxyphenyl)ethylidenehydrazinylidene]-1,2-diphenylethanone (CID 135775351) is (2Z)-2-[(E)-1-(5-fluoro-2-hydroxyphenyl)ethylidenehydrazinylidene]-1,2-diphenylethanone.
What is the SMILES notation for (2Z)-2-[(E)-1-(5-fluoro-2-hydroxyphenyl)ethylidenehydrazinylidene]-1,2-diphenylethanone?
The canonical SMILES for (2Z)-2-[(E)-1-(5-fluoro-2-hydroxyphenyl)ethylidenehydrazinylidene]-1,2-diphenylethanone is C/C(=N\N=C(/C(=O)c1ccccc1)c1ccccc1)c1cc(F)ccc1O.
What is the InChIKey of (2Z)-2-[(E)-1-(5-fluoro-2-hydroxyphenyl)ethylidenehydrazinylidene]-1,2-diphenylethanone?
The InChIKey is SXFNOZNHPISVCW-USOZENSSSA-N. The full InChI is InChI=1S/C22H17FN2O2/c1-15(19-14-18(23)12-13-20(19)26)24-25-21(16-8-4-2-5-9-16)22(27)17-10-6-3-7-11-17/h2-14,26H,1H3/b24-15+,25-21-.
What are the key properties of (2Z)-2-[(E)-1-(5-fluoro-2-hydroxyphenyl)ethylidenehydrazinylidene]-1,2-diphenylethanone?
(2Z)-2-[(E)-1-(5-fluoro-2-hydroxyphenyl)ethylidenehydrazinylidene]-1,2-diphenylethanone has a molecular weight of 360.39 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(E)-1-(5-fluoro-2-hydroxyphenyl)ethylidenehydrazinylidene]-1,2-diphenylethanone is sourced from PubChem (CID 135775351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).