(2Z,3E)-1-(4-chlorophenyl)-3-hydrazinylidene-2-[(4-methylphenyl)hydrazinylidene]propan-1-one

C16H15ClN4O — CID 20850740

IUPAC(2Z,3E)-1-(4-chlorophenyl)-3-hydrazinylidene-2-[(4-methylphenyl)hydrazinylidene]propan-1-one
SMILESCc1ccc(N/N=C(/C=N/N)C(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H15ClN4O/c1-11-2-8-14(9-3-11)20-21-15(10-19-18)16(22)12-4-6-13(17)7-5-12/h2-10,20H,18H2,1H3/b19-10+,21-15-
InChIKeyCIJTZPZEOVMALW-YETIZQITSA-N
MW314.78 g/mol
LogP3.24
Rot. Bonds5

About (2Z,3E)-1-(4-chlorophenyl)-3-hydrazinylidene-2-[(4-methylphenyl)hydrazinylidene]propan-1-one

(2Z,3E)-1-(4-chlorophenyl)-3-hydrazinylidene-2-[(4-methylphenyl)hydrazinylidene]propan-1-one (PubChem CID 20850740) has the molecular formula C16H15ClN4O and a molecular weight of 314.78 g/mol. Its IUPAC name is (2Z,3E)-1-(4-chlorophenyl)-3-hydrazinylidene-2-[(4-methylphenyl)hydrazinylidene]propan-1-one.

Molecular Properties

Compound Name(2Z,3E)-1-(4-chlorophenyl)-3-hydrazinylidene-2-[(4-methylphenyl)hydrazinylidene]propan-1-one
PubChem CID20850740
Molecular FormulaC16H15ClN4O
Molecular Weight314.78 g/mol
Exact Mass314.09
IUPAC Name(2Z,3E)-1-(4-chlorophenyl)-3-hydrazinylidene-2-[(4-methylphenyl)hydrazinylidene]propan-1-one
SMILESCc1ccc(N/N=C(/C=N/N)C(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H15ClN4O/c1-11-2-8-14(9-3-11)20-21-15(10-19-18)16(22)12-4-6-13(17)7-5-12/h2-10,20H,18H2,1H3/b19-10+,21-15-
InChIKeyCIJTZPZEOVMALW-YETIZQITSA-N
XLogP3.24
TPSA79.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.78
LogP ≤ 53.24
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

(2E,3E)-1-(4-chlorophenyl)-2-[(4-fluorophenyl)hydrazinylidene]-3-hydrazinylidenepropan-1-one
CID 96890730
(2Z,3Z)-1-(4-chlorophenyl)-3-methoxyimino-2-[(4-methylphenyl)hydrazinylidene]propan-1-one
CID 40530098
2-[(4-chlorophenyl)hydrazinylidene]-3-hydrazinylidene-1-thiophen-2-ylpropan-1-one
CID 3729407
(2Z)-2-(4-chlorophenyl)sulfonyl-2-[(4-methylphenyl)hydrazinylidene]acetohydrazide
CID 6034461
2-[(E)-C-(4-chlorobenzoyl)-N-(4-methylanilino)carbonimidoyl]-4-methyl-1H-pyrimidin-6-one
CID 135958405
N-(4-chlorobenzoyl)-4-methylbenzamide
CID 122212331
ethyl 2,3-bis[(4-methylphenyl)hydrazinylidene]propanoate
CID 71428518
N-[bis(4-methylphenyl)methylideneamino]-4-methylaniline
CID 59951194
(3E)-3-[(4-chlorophenyl)hydrazinylidene]-4-(4-methylphenyl)iminopentan-2-one
CID 5466429
3-[(4-chlorophenyl)hydrazinylidene]butan-2-one
CID 4562553
(E)-1-(4-chlorophenyl)-3-(4-methylanilino)prop-2-en-1-one
CID 2290968
4-[(2E)-2-[1-(4-chlorophenyl)ethylidene]hydrazinyl]benzenesulfonamide
CID 7066751

Frequently Asked Questions

What is the IUPAC name of (2Z,3E)-1-(4-chlorophenyl)-3-hydrazinylidene-2-[(4-methylphenyl)hydrazinylidene]propan-1-one?
The IUPAC name of (2Z,3E)-1-(4-chlorophenyl)-3-hydrazinylidene-2-[(4-methylphenyl)hydrazinylidene]propan-1-one (CID 20850740) is (2Z,3E)-1-(4-chlorophenyl)-3-hydrazinylidene-2-[(4-methylphenyl)hydrazinylidene]propan-1-one.
What is the SMILES notation for (2Z,3E)-1-(4-chlorophenyl)-3-hydrazinylidene-2-[(4-methylphenyl)hydrazinylidene]propan-1-one?
The canonical SMILES for (2Z,3E)-1-(4-chlorophenyl)-3-hydrazinylidene-2-[(4-methylphenyl)hydrazinylidene]propan-1-one is Cc1ccc(N/N=C(/C=N/N)C(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of (2Z,3E)-1-(4-chlorophenyl)-3-hydrazinylidene-2-[(4-methylphenyl)hydrazinylidene]propan-1-one?
The InChIKey is CIJTZPZEOVMALW-YETIZQITSA-N. The full InChI is InChI=1S/C16H15ClN4O/c1-11-2-8-14(9-3-11)20-21-15(10-19-18)16(22)12-4-6-13(17)7-5-12/h2-10,20H,18H2,1H3/b19-10+,21-15-.
What are the key properties of (2Z,3E)-1-(4-chlorophenyl)-3-hydrazinylidene-2-[(4-methylphenyl)hydrazinylidene]propan-1-one?
(2Z,3E)-1-(4-chlorophenyl)-3-hydrazinylidene-2-[(4-methylphenyl)hydrazinylidene]propan-1-one has a molecular weight of 314.78 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,3E)-1-(4-chlorophenyl)-3-hydrazinylidene-2-[(4-methylphenyl)hydrazinylidene]propan-1-one is sourced from PubChem (CID 20850740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).