(2E,3E)-1-(4-chlorophenyl)-2-[(4-fluorophenyl)hydrazinylidene]-3-hydrazinylidenepropan-1-one

C15H12ClFN4O — CID 96890730

IUPAC(2E,3E)-1-(4-chlorophenyl)-2-[(4-fluorophenyl)hydrazinylidene]-3-hydrazinylidenepropan-1-one
SMILESN/N=C/C(=N\Nc1ccc(F)cc1)C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H12ClFN4O/c16-11-3-1-10(2-4-11)15(22)14(9-19-18)21-20-13-7-5-12(17)6-8-13/h1-9,20H,18H2/b19-9+,21-14+
InChIKeyAZBMNJKNLTZGMO-JRYCZEQQSA-N
MW318.74 g/mol
LogP3.07
Rot. Bonds5

About (2E,3E)-1-(4-chlorophenyl)-2-[(4-fluorophenyl)hydrazinylidene]-3-hydrazinylidenepropan-1-one

(2E,3E)-1-(4-chlorophenyl)-2-[(4-fluorophenyl)hydrazinylidene]-3-hydrazinylidenepropan-1-one (PubChem CID 96890730) has the molecular formula C15H12ClFN4O and a molecular weight of 318.74 g/mol. Its IUPAC name is (2E,3E)-1-(4-chlorophenyl)-2-[(4-fluorophenyl)hydrazinylidene]-3-hydrazinylidenepropan-1-one.

Molecular Properties

Compound Name(2E,3E)-1-(4-chlorophenyl)-2-[(4-fluorophenyl)hydrazinylidene]-3-hydrazinylidenepropan-1-one
PubChem CID96890730
Molecular FormulaC15H12ClFN4O
Molecular Weight318.74 g/mol
Exact Mass318.07
IUPAC Name(2E,3E)-1-(4-chlorophenyl)-2-[(4-fluorophenyl)hydrazinylidene]-3-hydrazinylidenepropan-1-one
SMILESN/N=C/C(=N\Nc1ccc(F)cc1)C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H12ClFN4O/c16-11-3-1-10(2-4-11)15(22)14(9-19-18)21-20-13-7-5-12(17)6-8-13/h1-9,20H,18H2/b19-9+,21-14+
InChIKeyAZBMNJKNLTZGMO-JRYCZEQQSA-N
XLogP3.07
TPSA79.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.74
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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

(2Z,3E)-1-(4-chlorophenyl)-3-hydrazinylidene-2-[(4-methylphenyl)hydrazinylidene]propan-1-one
CID 20850740
2-[(4-chlorophenyl)hydrazinylidene]-3-hydrazinylidene-1-thiophen-2-ylpropan-1-one
CID 3729407
(2Z,3Z)-1-(4-chlorophenyl)-3-methoxyimino-2-[(4-methylphenyl)hydrazinylidene]propan-1-one
CID 40530098
(1Z)-N,2-bis(4-fluorophenyl)-2-oxoethanehydrazonoyl chloride
CID 138391833
bis(4-chlorophenyl)methanone;bis(4-fluorophenyl)methanone
CID 159883474
N-(3-chloro-4-fluoroanilino)-2-(4-chlorophenyl)-2-oxoethanimidoyl cyanide
CID 587095
(1Z)-2-(4-chloroanilino)-N-(4-chlorophenyl)-2-oxoethanehydrazonoyl chloride
CID 15626985
(2Z)-2-amino-2-[(4-fluorophenyl)hydrazinylidene]-N-phenylacetamide
CID 134920026
2-(4-fluorophenyl)-2-oxoacetyl chloride
CID 20638620
4-chloro-N-[4-(4-fluorobenzoyl)phenyl]benzenesulfonamide
CID 1375859
2-(4-chlorophenyl)-2-oxoacetohydrazide
CID 163907159
3-[(4-chlorophenyl)hydrazinylidene]butan-2-one
CID 4562553

Frequently Asked Questions

What is the IUPAC name of (2E,3E)-1-(4-chlorophenyl)-2-[(4-fluorophenyl)hydrazinylidene]-3-hydrazinylidenepropan-1-one?
The IUPAC name of (2E,3E)-1-(4-chlorophenyl)-2-[(4-fluorophenyl)hydrazinylidene]-3-hydrazinylidenepropan-1-one (CID 96890730) is (2E,3E)-1-(4-chlorophenyl)-2-[(4-fluorophenyl)hydrazinylidene]-3-hydrazinylidenepropan-1-one.
What is the SMILES notation for (2E,3E)-1-(4-chlorophenyl)-2-[(4-fluorophenyl)hydrazinylidene]-3-hydrazinylidenepropan-1-one?
The canonical SMILES for (2E,3E)-1-(4-chlorophenyl)-2-[(4-fluorophenyl)hydrazinylidene]-3-hydrazinylidenepropan-1-one is N/N=C/C(=N\Nc1ccc(F)cc1)C(=O)c1ccc(Cl)cc1.
What is the InChIKey of (2E,3E)-1-(4-chlorophenyl)-2-[(4-fluorophenyl)hydrazinylidene]-3-hydrazinylidenepropan-1-one?
The InChIKey is AZBMNJKNLTZGMO-JRYCZEQQSA-N. The full InChI is InChI=1S/C15H12ClFN4O/c16-11-3-1-10(2-4-11)15(22)14(9-19-18)21-20-13-7-5-12(17)6-8-13/h1-9,20H,18H2/b19-9+,21-14+.
What are the key properties of (2E,3E)-1-(4-chlorophenyl)-2-[(4-fluorophenyl)hydrazinylidene]-3-hydrazinylidenepropan-1-one?
(2E,3E)-1-(4-chlorophenyl)-2-[(4-fluorophenyl)hydrazinylidene]-3-hydrazinylidenepropan-1-one has a molecular weight of 318.74 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,3E)-1-(4-chlorophenyl)-2-[(4-fluorophenyl)hydrazinylidene]-3-hydrazinylidenepropan-1-one is sourced from PubChem (CID 96890730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).