(2Z,3E)-3-[(4-fluorophenyl)hydrazinylidene]-2-hydroxyimino-N-phenylbutanamide

C16H15FN4O2 — CID 135777592

IUPAC(2Z,3E)-3-[(4-fluorophenyl)hydrazinylidene]-2-hydroxyimino-N-phenylbutanamide
SMILESCC(=N\Nc1ccc(F)cc1)/C(=N/O)C(=O)Nc1ccccc1
InChIInChI=1S/C16H15FN4O2/c1-11(19-20-14-9-7-12(17)8-10-14)15(21-23)16(22)18-13-5-3-2-4-6-13/h2-10,20,23H,1H3,(H,18,22)/b19-11+,21-15-
InChIKeyREXYTEOQIUBJNM-JUYTWUFESA-N
MW314.32 g/mol
LogP3.08
Rot. Bonds5

About (2Z,3E)-3-[(4-fluorophenyl)hydrazinylidene]-2-hydroxyimino-N-phenylbutanamide

(2Z,3E)-3-[(4-fluorophenyl)hydrazinylidene]-2-hydroxyimino-N-phenylbutanamide (PubChem CID 135777592) has the molecular formula C16H15FN4O2 and a molecular weight of 314.32 g/mol. Its IUPAC name is (2Z,3E)-3-[(4-fluorophenyl)hydrazinylidene]-2-hydroxyimino-N-phenylbutanamide.

Molecular Properties

Compound Name(2Z,3E)-3-[(4-fluorophenyl)hydrazinylidene]-2-hydroxyimino-N-phenylbutanamide
PubChem CID135777592
Molecular FormulaC16H15FN4O2
Molecular Weight314.32 g/mol
Exact Mass314.12
IUPAC Name(2Z,3E)-3-[(4-fluorophenyl)hydrazinylidene]-2-hydroxyimino-N-phenylbutanamide
SMILESCC(=N\Nc1ccc(F)cc1)/C(=N/O)C(=O)Nc1ccccc1
InChIInChI=1S/C16H15FN4O2/c1-11(19-20-14-9-7-12(17)8-10-14)15(21-23)16(22)18-13-5-3-2-4-6-13/h2-10,20,23H,1H3,(H,18,22)/b19-11+,21-15-
InChIKeyREXYTEOQIUBJNM-JUYTWUFESA-N
XLogP3.08
TPSA86.08 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.32
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-fluorophenyl)-6-oxo-1,6-dihydropyridazine-3-carboxamide
CID 939768
5-oxo-N,1-diphenyl-4H-pyrazole-3-carboxamide
CID 24965129
6-oxo-N,1-diphenyl-4-(trifluoromethyl)-1,6-dihydro-3-pyridazinecarboxamide
CID 1489974
1-(4-fluorophenyl)-4-[(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylene]-3,5-pyrazolidinedione
CID 135425071
3-[2-(4-chlorophenyl)hydrazono]-2-(hydroxyimino)-N-phenylbutanamide
CID 135501739
N-(3,5-difluorophenyl)-6-methyl-4-oxo-1-phenyl-1,4-dihydropyridazine-3-carboxamide
CID 17397569
N-(3-fluorophenyl)-6-methyl-4-oxo-1-phenyl-1,4-dihydropyridazine-3-carboxamide
CID 17406826
Nickel, bis(2,3-bis(hydroxyimino-kappaN)-N-phenylbutanamidato)-
CID 136064478
Nickel, bis[2,3-bis(hydroxyimino-kappaN)-N-phenylbutanamidato]-
CID 136257965
N-(3,5-difluorophenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 2815286
3-{[(cyclohexylamino)(oxo)acetyl]hydrazono}-N-(3-fluorophenyl)butanamide
CID 9667522
2-(hydroxyimino)-N-phenyl-3-(2-phenylhydrazono)butanamide
CID 135501740

Frequently Asked Questions

What is the IUPAC name of (2Z,3E)-3-[(4-fluorophenyl)hydrazinylidene]-2-hydroxyimino-N-phenylbutanamide?
The IUPAC name of (2Z,3E)-3-[(4-fluorophenyl)hydrazinylidene]-2-hydroxyimino-N-phenylbutanamide (CID 135777592) is (2Z,3E)-3-[(4-fluorophenyl)hydrazinylidene]-2-hydroxyimino-N-phenylbutanamide.
What is the SMILES notation for (2Z,3E)-3-[(4-fluorophenyl)hydrazinylidene]-2-hydroxyimino-N-phenylbutanamide?
The canonical SMILES for (2Z,3E)-3-[(4-fluorophenyl)hydrazinylidene]-2-hydroxyimino-N-phenylbutanamide is CC(=N\Nc1ccc(F)cc1)/C(=N/O)C(=O)Nc1ccccc1.
What is the InChIKey of (2Z,3E)-3-[(4-fluorophenyl)hydrazinylidene]-2-hydroxyimino-N-phenylbutanamide?
The InChIKey is REXYTEOQIUBJNM-JUYTWUFESA-N. The full InChI is InChI=1S/C16H15FN4O2/c1-11(19-20-14-9-7-12(17)8-10-14)15(21-23)16(22)18-13-5-3-2-4-6-13/h2-10,20,23H,1H3,(H,18,22)/b19-11+,21-15-.
What are the key properties of (2Z,3E)-3-[(4-fluorophenyl)hydrazinylidene]-2-hydroxyimino-N-phenylbutanamide?
(2Z,3E)-3-[(4-fluorophenyl)hydrazinylidene]-2-hydroxyimino-N-phenylbutanamide has a molecular weight of 314.32 g/mol, XLogP of 3.08, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,3E)-3-[(4-fluorophenyl)hydrazinylidene]-2-hydroxyimino-N-phenylbutanamide is sourced from PubChem (CID 135777592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).