3-phenyl-2-(phenylhydrazinylidene)propanoyl chloride

C15H13ClN2O — CID 131710018

IUPAC3-phenyl-2-(phenylhydrazinylidene)propanoyl chloride
SMILESO=C(Cl)C(Cc1ccccc1)=NNc1ccccc1
InChIInChI=1S/C15H13ClN2O/c16-15(19)14(11-12-7-3-1-4-8-12)18-17-13-9-5-2-6-10-13/h1-10,17H,11H2
InChIKeyMARAISLYGKYDRT-UHFFFAOYSA-N
MW272.74 g/mol
LogP3.46
Rot. Bonds5

About 3-phenyl-2-(phenylhydrazinylidene)propanoyl chloride

3-phenyl-2-(phenylhydrazinylidene)propanoyl chloride (PubChem CID 131710018) has the molecular formula C15H13ClN2O and a molecular weight of 272.74 g/mol. Its IUPAC name is 3-phenyl-2-(phenylhydrazinylidene)propanoyl chloride.

Molecular Properties

Compound Name3-phenyl-2-(phenylhydrazinylidene)propanoyl chloride
PubChem CID131710018
Molecular FormulaC15H13ClN2O
Molecular Weight272.74 g/mol
Exact Mass272.07
IUPAC Name3-phenyl-2-(phenylhydrazinylidene)propanoyl chloride
SMILESO=C(Cl)C(Cc1ccccc1)=NNc1ccccc1
InChIInChI=1S/C15H13ClN2O/c16-15(19)14(11-12-7-3-1-4-8-12)18-17-13-9-5-2-6-10-13/h1-10,17H,11H2
InChIKeyMARAISLYGKYDRT-UHFFFAOYSA-N
XLogP3.46
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.74
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', '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

ethyl (2E)-3-phenyl-2-(phenylhydrazinylidene)propanoate
CID 11616153
methyl (2E)-2-(phenylhydrazinylidene)-3-(4-phenylmethoxyphenyl)propanoate
CID 101385943
3-(phenylhydrazinylidene)pentan-2-one
CID 23263615
dimethyl (2E)-2-(phenylhydrazinylidene)butanedioate
CID 16646134
(2Z)-4-methyl-2-(phenylhydrazinylidene)pentanoic acid
CID 18965760
(Z)-N-phenylbenzenecarbohydrazonoyl chloride
CID 7290563
N-[(E)-[2-phenyl-1-(4-phenylphenyl)ethylidene]amino]aniline
CID 6369710
ethyl (2Z)-2-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]hydrazinylidene]-3-phenylpropanoate
CID 88796860
zinc;2-phenylacetyl chloride;dichloride
CID 175497500
2-phenyl-N-[[(2-phenylacetyl)amino]methyl]acetamide
CID 13210427
2-(phenylhydrazinylidene)hexanoate
CID 57359440
(2Z)-3-(dimethylamino)-1-phenyl-2-(phenylhydrazinylidene)propan-1-one
CID 11277499

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2-(phenylhydrazinylidene)propanoyl chloride?
The IUPAC name of 3-phenyl-2-(phenylhydrazinylidene)propanoyl chloride (CID 131710018) is 3-phenyl-2-(phenylhydrazinylidene)propanoyl chloride.
What is the SMILES notation for 3-phenyl-2-(phenylhydrazinylidene)propanoyl chloride?
The canonical SMILES for 3-phenyl-2-(phenylhydrazinylidene)propanoyl chloride is O=C(Cl)C(Cc1ccccc1)=NNc1ccccc1.
What is the InChIKey of 3-phenyl-2-(phenylhydrazinylidene)propanoyl chloride?
The InChIKey is MARAISLYGKYDRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O/c16-15(19)14(11-12-7-3-1-4-8-12)18-17-13-9-5-2-6-10-13/h1-10,17H,11H2.
What are the key properties of 3-phenyl-2-(phenylhydrazinylidene)propanoyl chloride?
3-phenyl-2-(phenylhydrazinylidene)propanoyl chloride has a molecular weight of 272.74 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2-(phenylhydrazinylidene)propanoyl chloride is sourced from PubChem (CID 131710018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).