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

C16H15ClN4O2 — CID 135501739

IUPAC(2Z,3E)-3-[(4-chlorophenyl)hydrazinylidene]-2-hydroxyimino-N-phenylbutanamide
SMILESCC(=N\Nc1ccc(Cl)cc1)/C(=N/O)C(=O)Nc1ccccc1
InChIInChI=1S/C16H15ClN4O2/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-
InChIKeyOCSXNUCRKIXDNA-JUYTWUFESA-N
MW330.78 g/mol
LogP3.60
Rot. Bonds5

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

(2Z,3E)-3-[(4-chlorophenyl)hydrazinylidene]-2-hydroxyimino-N-phenylbutanamide (PubChem CID 135501739) has the molecular formula C16H15ClN4O2 and a molecular weight of 330.78 g/mol. Its IUPAC name is (2Z,3E)-3-[(4-chlorophenyl)hydrazinylidene]-2-hydroxyimino-N-phenylbutanamide.

Molecular Properties

Compound Name(2Z,3E)-3-[(4-chlorophenyl)hydrazinylidene]-2-hydroxyimino-N-phenylbutanamide
PubChem CID135501739
Molecular FormulaC16H15ClN4O2
Molecular Weight330.78 g/mol
Exact Mass330.09
IUPAC Name(2Z,3E)-3-[(4-chlorophenyl)hydrazinylidene]-2-hydroxyimino-N-phenylbutanamide
SMILESCC(=N\Nc1ccc(Cl)cc1)/C(=N/O)C(=O)Nc1ccccc1
InChIInChI=1S/C16H15ClN4O2/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-
InChIKeyOCSXNUCRKIXDNA-JUYTWUFESA-N
XLogP3.60
TPSA86.08 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.78
LogP ≤ 53.60
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

3H-Pyrazol-3-one, 2-(4-chlorophenyl)-2,4-dihydro-5-methyl-
CID 83055
ethyl (2E,3E)-3-(2-{[(4-chlorophenyl)amino](oxo)acetyl}hydrazinylidene)-2-(hydroxyimino)butanoate
CID 135635899
(3E)-N-(4-chlorophenyl)-3-{2-[oxo(piperidin-1-yl)acetyl]hydrazinylidene}butanamide
CID 9594063
2-(hydroxyimino)-N-phenyl-3-(2-phenylhydrazono)butanamide
CID 135501740
N-(3-chlorophenyl)-6-methyl-4-oxo-1-phenyl-1,4-dihydropyridazine-3-carboxamide
CID 17396829
4-((4-Chlorophenyl)diazenyl)-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
CID 555898
N-(4-chlorophenyl)-3-(propionylhydrazono)butanamide
CID 9725886
3-[2-(4-fluorophenyl)hydrazono]-2-(hydroxyimino)-N-phenylbutanamide
CID 135777592
2-[(4-Chlorophenyl)amino]-N'-[(2E,3E)-3-(hydroxyimino)butan-2-ylidene]acetohydrazide
CID 135537881
N-(3-chlorophenyl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
CID 756093
Cyto1B10
CID 136702287
N-(4-chlorophenyl)-6-oxo-1-phenyl-4-(trifluoromethyl)-1,6-dihydro-3-pyridazinecarboxamide
CID 1489990

Frequently Asked Questions

What is the IUPAC name of (2Z,3E)-3-[(4-chlorophenyl)hydrazinylidene]-2-hydroxyimino-N-phenylbutanamide?
The IUPAC name of (2Z,3E)-3-[(4-chlorophenyl)hydrazinylidene]-2-hydroxyimino-N-phenylbutanamide (CID 135501739) is (2Z,3E)-3-[(4-chlorophenyl)hydrazinylidene]-2-hydroxyimino-N-phenylbutanamide.
What is the SMILES notation for (2Z,3E)-3-[(4-chlorophenyl)hydrazinylidene]-2-hydroxyimino-N-phenylbutanamide?
The canonical SMILES for (2Z,3E)-3-[(4-chlorophenyl)hydrazinylidene]-2-hydroxyimino-N-phenylbutanamide is CC(=N\Nc1ccc(Cl)cc1)/C(=N/O)C(=O)Nc1ccccc1.
What is the InChIKey of (2Z,3E)-3-[(4-chlorophenyl)hydrazinylidene]-2-hydroxyimino-N-phenylbutanamide?
The InChIKey is OCSXNUCRKIXDNA-JUYTWUFESA-N. The full InChI is InChI=1S/C16H15ClN4O2/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-chlorophenyl)hydrazinylidene]-2-hydroxyimino-N-phenylbutanamide?
(2Z,3E)-3-[(4-chlorophenyl)hydrazinylidene]-2-hydroxyimino-N-phenylbutanamide has a molecular weight of 330.78 g/mol, XLogP of 3.60, 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-chlorophenyl)hydrazinylidene]-2-hydroxyimino-N-phenylbutanamide is sourced from PubChem (CID 135501739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).