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

C17H16ClN3O2 — CID 40530098

IUPAC(2Z,3Z)-1-(4-chlorophenyl)-3-methoxyimino-2-[(4-methylphenyl)hydrazinylidene]propan-1-one
SMILESCO/N=C\C(=N\Nc1ccc(C)cc1)C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H16ClN3O2/c1-12-3-9-15(10-4-12)20-21-16(11-19-23-2)17(22)13-5-7-14(18)8-6-13/h3-11,20H,1-2H3/b19-11-,21-16-
InChIKeyROMJTUCDKSVTCV-DVSQAHHYSA-N
MW329.79 g/mol
LogP3.93
Rot. Bonds6

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

(2Z,3Z)-1-(4-chlorophenyl)-3-methoxyimino-2-[(4-methylphenyl)hydrazinylidene]propan-1-one (PubChem CID 40530098) has the molecular formula C17H16ClN3O2 and a molecular weight of 329.79 g/mol. Its IUPAC name is (2Z,3Z)-1-(4-chlorophenyl)-3-methoxyimino-2-[(4-methylphenyl)hydrazinylidene]propan-1-one.

Molecular Properties

Compound Name(2Z,3Z)-1-(4-chlorophenyl)-3-methoxyimino-2-[(4-methylphenyl)hydrazinylidene]propan-1-one
PubChem CID40530098
Molecular FormulaC17H16ClN3O2
Molecular Weight329.79 g/mol
Exact Mass329.09
IUPAC Name(2Z,3Z)-1-(4-chlorophenyl)-3-methoxyimino-2-[(4-methylphenyl)hydrazinylidene]propan-1-one
SMILESCO/N=C\C(=N\Nc1ccc(C)cc1)C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H16ClN3O2/c1-12-3-9-15(10-4-12)20-21-16(11-19-23-2)17(22)13-5-7-14(18)8-6-13/h3-11,20H,1-2H3/b19-11-,21-16-
InChIKeyROMJTUCDKSVTCV-DVSQAHHYSA-N
XLogP3.93
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.79
LogP ≤ 53.93
H-Bond Donors ≤ 51
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': '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
(2Z,3Z)-3-methoxyimino-2-[(4-methylphenyl)hydrazinylidene]-N-phenylpropanamide
CID 40513021
(2Z,3Z)-3-methoxyimino-2-[(4-nitrophenyl)hydrazinylidene]-1-phenylpropan-1-one
CID 40512668
(2E,3E)-1-(4-chlorophenyl)-2-[(4-fluorophenyl)hydrazinylidene]-3-hydrazinylidenepropan-1-one
CID 96890730
N-(4-chloroanilino)-2-methoxyiminoethanimidoyl cyanide
CID 6788623
2-[(E)-C-(4-chlorobenzoyl)-N-(4-methylanilino)carbonimidoyl]-4-methyl-1H-pyrimidin-6-one
CID 135958405
(2Z)-2-(4-chlorophenyl)sulfonyl-2-[(4-methylphenyl)hydrazinylidene]acetohydrazide
CID 6034461
N-(4-chlorobenzoyl)-4-methylbenzamide
CID 122212331
ethyl 2,3-bis[(4-methylphenyl)hydrazinylidene]propanoate
CID 71428518
methyl 3-[(4-methylphenyl)hydrazinylidene]-2-oxobutanoate
CID 88827249
(1Z)-2-(4-methoxyphenyl)-N-(4-methylanilino)-2-oxoethanimidoyl cyanide
CID 6293273
N-[bis(4-methylphenyl)methylideneamino]-4-methylaniline
CID 59951194

Frequently Asked Questions

What is the IUPAC name of (2Z,3Z)-1-(4-chlorophenyl)-3-methoxyimino-2-[(4-methylphenyl)hydrazinylidene]propan-1-one?
The IUPAC name of (2Z,3Z)-1-(4-chlorophenyl)-3-methoxyimino-2-[(4-methylphenyl)hydrazinylidene]propan-1-one (CID 40530098) is (2Z,3Z)-1-(4-chlorophenyl)-3-methoxyimino-2-[(4-methylphenyl)hydrazinylidene]propan-1-one.
What is the SMILES notation for (2Z,3Z)-1-(4-chlorophenyl)-3-methoxyimino-2-[(4-methylphenyl)hydrazinylidene]propan-1-one?
The canonical SMILES for (2Z,3Z)-1-(4-chlorophenyl)-3-methoxyimino-2-[(4-methylphenyl)hydrazinylidene]propan-1-one is CO/N=C\C(=N\Nc1ccc(C)cc1)C(=O)c1ccc(Cl)cc1.
What is the InChIKey of (2Z,3Z)-1-(4-chlorophenyl)-3-methoxyimino-2-[(4-methylphenyl)hydrazinylidene]propan-1-one?
The InChIKey is ROMJTUCDKSVTCV-DVSQAHHYSA-N. The full InChI is InChI=1S/C17H16ClN3O2/c1-12-3-9-15(10-4-12)20-21-16(11-19-23-2)17(22)13-5-7-14(18)8-6-13/h3-11,20H,1-2H3/b19-11-,21-16-.
What are the key properties of (2Z,3Z)-1-(4-chlorophenyl)-3-methoxyimino-2-[(4-methylphenyl)hydrazinylidene]propan-1-one?
(2Z,3Z)-1-(4-chlorophenyl)-3-methoxyimino-2-[(4-methylphenyl)hydrazinylidene]propan-1-one has a molecular weight of 329.79 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,3Z)-1-(4-chlorophenyl)-3-methoxyimino-2-[(4-methylphenyl)hydrazinylidene]propan-1-one is sourced from PubChem (CID 40530098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).