(2Z)-2-[[2-(2-chlorophenyl)acetyl]hydrazinylidene]-2-phenylacetate

C16H12ClN2O3- — CID 7327923

IUPAC(2Z)-2-[[2-(2-chlorophenyl)acetyl]hydrazinylidene]-2-phenylacetate
SMILESO=C(Cc1ccccc1Cl)N/N=C(\C(=O)[O-])c1ccccc1
InChIInChI=1S/C16H13ClN2O3/c17-13-9-5-4-8-12(13)10-14(20)18-19-15(16(21)22)11-6-2-1-3-7-11/h1-9H,10H2,(H,18,20)(H,21,22)/p-1/b19-15-
InChIKeyCGWVAUXUTDXZAA-CYVLTUHYSA-M
MW315.74 g/mol
LogP1.15
Rot. Bonds5

About (2Z)-2-[[2-(2-chlorophenyl)acetyl]hydrazinylidene]-2-phenylacetate

(2Z)-2-[[2-(2-chlorophenyl)acetyl]hydrazinylidene]-2-phenylacetate (PubChem CID 7327923) has the molecular formula C16H12ClN2O3- and a molecular weight of 315.74 g/mol. Its IUPAC name is (2Z)-2-[[2-(2-chlorophenyl)acetyl]hydrazinylidene]-2-phenylacetate.

Molecular Properties

Compound Name(2Z)-2-[[2-(2-chlorophenyl)acetyl]hydrazinylidene]-2-phenylacetate
PubChem CID7327923
Molecular FormulaC16H12ClN2O3-
Molecular Weight315.74 g/mol
Exact Mass315.05
IUPAC Name(2Z)-2-[[2-(2-chlorophenyl)acetyl]hydrazinylidene]-2-phenylacetate
SMILESO=C(Cc1ccccc1Cl)N/N=C(\C(=O)[O-])c1ccccc1
InChIInChI=1S/C16H13ClN2O3/c17-13-9-5-4-8-12(13)10-14(20)18-19-15(16(21)22)11-6-2-1-3-7-11/h1-9H,10H2,(H,18,20)(H,21,22)/p-1/b19-15-
InChIKeyCGWVAUXUTDXZAA-CYVLTUHYSA-M
XLogP1.15
TPSA81.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.74
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(2-chlorophenyl)methyl]-3-oxo-3-phenylpropanamide
CID 619799
2-(2-chlorophenyl)-N-(2-oxopropyl)acetamide
CID 64996556
3-[[2-(2-chlorophenyl)acetyl]amino]butanoic acid
CID 43240713
N-(2-benzoylphenyl)-2-(2-chlorophenyl)acetamide
CID 100633810
2-chloro-N-[(2E)-2-phenyl-2-[(2-phenylacetyl)hydrazinylidene]ethyl]benzamide
CID 27876476
sodium;2-(2-chlorophenyl)acetic acid;hydride
CID 174699179
3-[2-borono-2-[[2-(2-chlorophenyl)acetyl]amino]ethyl]benzoic acid
CID 71011547
2-[[2-(2-chlorophenyl)acetyl]amino]-3-hydroxybutanoic acid
CID 43175926
2-(2-chlorophenyl)-N-(1-phenylpropyl)acetamide
CID 17328141
N'-[2-(2-chlorophenyl)acetyl]-3-methylbutanehydrazide
CID 24543034
2-(2-chlorophenyl)-N-[4-(phenylsulfamoyl)phenyl]acetamide
CID 18159807
2-(2-chlorophenyl)-N-[(4-fluorophenyl)-phenylmethyl]acetamide
CID 55583548

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[[2-(2-chlorophenyl)acetyl]hydrazinylidene]-2-phenylacetate?
The IUPAC name of (2Z)-2-[[2-(2-chlorophenyl)acetyl]hydrazinylidene]-2-phenylacetate (CID 7327923) is (2Z)-2-[[2-(2-chlorophenyl)acetyl]hydrazinylidene]-2-phenylacetate.
What is the SMILES notation for (2Z)-2-[[2-(2-chlorophenyl)acetyl]hydrazinylidene]-2-phenylacetate?
The canonical SMILES for (2Z)-2-[[2-(2-chlorophenyl)acetyl]hydrazinylidene]-2-phenylacetate is O=C(Cc1ccccc1Cl)N/N=C(\C(=O)[O-])c1ccccc1.
What is the InChIKey of (2Z)-2-[[2-(2-chlorophenyl)acetyl]hydrazinylidene]-2-phenylacetate?
The InChIKey is CGWVAUXUTDXZAA-CYVLTUHYSA-M. The full InChI is InChI=1S/C16H13ClN2O3/c17-13-9-5-4-8-12(13)10-14(20)18-19-15(16(21)22)11-6-2-1-3-7-11/h1-9H,10H2,(H,18,20)(H,21,22)/p-1/b19-15-.
What are the key properties of (2Z)-2-[[2-(2-chlorophenyl)acetyl]hydrazinylidene]-2-phenylacetate?
(2Z)-2-[[2-(2-chlorophenyl)acetyl]hydrazinylidene]-2-phenylacetate has a molecular weight of 315.74 g/mol, XLogP of 1.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[[2-(2-chlorophenyl)acetyl]hydrazinylidene]-2-phenylacetate is sourced from PubChem (CID 7327923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).