2-[1-(2,4-dichlorophenyl)ethenylamino]oxyacetic acid

C10H9Cl2NO3 — CID 57301686

IUPAC2-[1-(2,4-dichlorophenyl)ethenylamino]oxyacetic acid
SMILESC=C(NOCC(=O)O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C10H9Cl2NO3/c1-6(13-16-5-10(14)15)8-3-2-7(11)4-9(8)12/h2-4,13H,1,5H2,(H,14,15)
InChIKeyXKHHOYHBMABRFJ-UHFFFAOYSA-N
MW262.09 g/mol
LogP2.57
Rot. Bonds5

About 2-[1-(2,4-dichlorophenyl)ethenylamino]oxyacetic acid

2-[1-(2,4-dichlorophenyl)ethenylamino]oxyacetic acid (PubChem CID 57301686) has the molecular formula C10H9Cl2NO3 and a molecular weight of 262.09 g/mol. Its IUPAC name is 2-[1-(2,4-dichlorophenyl)ethenylamino]oxyacetic acid.

Molecular Properties

Compound Name2-[1-(2,4-dichlorophenyl)ethenylamino]oxyacetic acid
PubChem CID57301686
Molecular FormulaC10H9Cl2NO3
Molecular Weight262.09 g/mol
Exact Mass261.00
IUPAC Name2-[1-(2,4-dichlorophenyl)ethenylamino]oxyacetic acid
SMILESC=C(NOCC(=O)O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C10H9Cl2NO3/c1-6(13-16-5-10(14)15)8-3-2-7(11)4-9(8)12/h2-4,13H,1,5H2,(H,14,15)
InChIKeyXKHHOYHBMABRFJ-UHFFFAOYSA-N
XLogP2.57
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.09
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(3,5-Dichlorophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylic acid
CID 56978868
3-(2-Chlorophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylic acid
CID 56993941
1-(2,4-dichlorophenyl)-N-methoxyethenamine
CID 57036763
3-[1-(4-Chlorophenyl)prop-1-enylamino]oxypropanoic acid
CID 57055646
Methyl 2-[1-(4-chlorophenyl)ethenylamino]oxyacetate
CID 57056971
3-(2,5-Dichlorophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylic acid
CID 57061200
2-[1-(4-Chlorophenyl)ethenylamino]oxyacetic acid
CID 57101882
3-(2,6-Dichlorophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylic acid
CID 57121693
2-[1-(4-Chlorophenyl)ethenylamino]oxypropanoic acid
CID 57126545
3-(4-Chlorophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylic acid
CID 57143366
2-[1-(4-Chlorophenyl)ethenylamino]oxyacetyl chloride
CID 57145515
3-[1-(4-Chlorophenyl)ethenylamino]oxypropanoic acid
CID 57171435

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,4-dichlorophenyl)ethenylamino]oxyacetic acid?
The IUPAC name of 2-[1-(2,4-dichlorophenyl)ethenylamino]oxyacetic acid (CID 57301686) is 2-[1-(2,4-dichlorophenyl)ethenylamino]oxyacetic acid.
What is the SMILES notation for 2-[1-(2,4-dichlorophenyl)ethenylamino]oxyacetic acid?
The canonical SMILES for 2-[1-(2,4-dichlorophenyl)ethenylamino]oxyacetic acid is C=C(NOCC(=O)O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-[1-(2,4-dichlorophenyl)ethenylamino]oxyacetic acid?
The InChIKey is XKHHOYHBMABRFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2NO3/c1-6(13-16-5-10(14)15)8-3-2-7(11)4-9(8)12/h2-4,13H,1,5H2,(H,14,15).
What are the key properties of 2-[1-(2,4-dichlorophenyl)ethenylamino]oxyacetic acid?
2-[1-(2,4-dichlorophenyl)ethenylamino]oxyacetic acid has a molecular weight of 262.09 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,4-dichlorophenyl)ethenylamino]oxyacetic acid is sourced from PubChem (CID 57301686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).