2-[1-(4-chlorophenyl)ethenylamino]oxyacetyl chloride

C10H9Cl2NO2 — CID 57145515

IUPAC2-[1-(4-chlorophenyl)ethenylamino]oxyacetyl chloride
SMILESC=C(NOCC(=O)Cl)c1ccc(Cl)cc1
InChIInChI=1S/C10H9Cl2NO2/c1-7(13-15-6-10(12)14)8-2-4-9(11)5-3-8/h2-5,13H,1,6H2
InChIKeySTFMVFUYABGLFI-UHFFFAOYSA-N
MW246.09 g/mol
LogP2.60
Rot. Bonds5

About 2-[1-(4-chlorophenyl)ethenylamino]oxyacetyl chloride

2-[1-(4-chlorophenyl)ethenylamino]oxyacetyl chloride (PubChem CID 57145515) has the molecular formula C10H9Cl2NO2 and a molecular weight of 246.09 g/mol. Its IUPAC name is 2-[1-(4-chlorophenyl)ethenylamino]oxyacetyl chloride.

Molecular Properties

Compound Name2-[1-(4-chlorophenyl)ethenylamino]oxyacetyl chloride
PubChem CID57145515
Molecular FormulaC10H9Cl2NO2
Molecular Weight246.09 g/mol
Exact Mass245.00
IUPAC Name2-[1-(4-chlorophenyl)ethenylamino]oxyacetyl chloride
SMILESC=C(NOCC(=O)Cl)c1ccc(Cl)cc1
InChIInChI=1S/C10H9Cl2NO2/c1-7(13-15-6-10(12)14)8-2-4-9(11)5-3-8/h2-5,13H,1,6H2
InChIKeySTFMVFUYABGLFI-UHFFFAOYSA-N
XLogP2.60
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.09
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(4-Chlorophenyl)ethenylamino]oxyacetamide
CID 56975337
N-[1-(4-chlorophenyl)ethenylamino]oxyacetamide
CID 56990726
1-(2,4-dichlorophenyl)-N-methoxyethenamine
CID 57036763
Methyl 2-[1-(4-chlorophenyl)ethenylamino]oxyacetate
CID 57056971
3-[1-(4-Chlorophenyl)ethenylamino]oxypropanamide
CID 57068035
2-[1-(4-Chlorophenyl)ethenylamino]oxyacetic acid
CID 57101882
2-[1-(4-Chlorophenyl)ethenylamino]oxyacetonitrile
CID 57109794
2-[1-(4-Chlorophenyl)ethenylamino]oxypropanoic acid
CID 57126545
[1-(4-Chlorophenyl)ethenylamino] acetate
CID 57179071
2-[1-(4-chlorophenyl)ethenylamino]oxy-N,N-dimethylacetamide
CID 57256493
1-(4-chlorophenyl)-N-methoxyethenamine
CID 57258971
2-[1-(2,4-Dichlorophenyl)ethenylamino]oxyacetic acid
CID 57301686

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorophenyl)ethenylamino]oxyacetyl chloride?
The IUPAC name of 2-[1-(4-chlorophenyl)ethenylamino]oxyacetyl chloride (CID 57145515) is 2-[1-(4-chlorophenyl)ethenylamino]oxyacetyl chloride.
What is the SMILES notation for 2-[1-(4-chlorophenyl)ethenylamino]oxyacetyl chloride?
The canonical SMILES for 2-[1-(4-chlorophenyl)ethenylamino]oxyacetyl chloride is C=C(NOCC(=O)Cl)c1ccc(Cl)cc1.
What is the InChIKey of 2-[1-(4-chlorophenyl)ethenylamino]oxyacetyl chloride?
The InChIKey is STFMVFUYABGLFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2NO2/c1-7(13-15-6-10(12)14)8-2-4-9(11)5-3-8/h2-5,13H,1,6H2.
What are the key properties of 2-[1-(4-chlorophenyl)ethenylamino]oxyacetyl chloride?
2-[1-(4-chlorophenyl)ethenylamino]oxyacetyl chloride has a molecular weight of 246.09 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chlorophenyl)ethenylamino]oxyacetyl chloride is sourced from PubChem (CID 57145515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).