2-[[2-(2,4,5-trichlorophenoxy)acetyl]amino]oxyacetamide

C10H9Cl3N2O4 — CID 112550685

IUPAC2-[[2-(2,4,5-trichlorophenoxy)acetyl]amino]oxyacetamide
SMILESNC(=O)CONC(=O)COc1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C10H9Cl3N2O4/c11-5-1-7(13)8(2-6(5)12)18-4-10(17)15-19-3-9(14)16/h1-2H,3-4H2,(H2,14,16)(H,15,17)
InChIKeySUOCTCUSWJNKRA-UHFFFAOYSA-N
MW327.55 g/mol
LogP1.56
Rot. Bonds6

About 2-[[2-(2,4,5-trichlorophenoxy)acetyl]amino]oxyacetamide

2-[[2-(2,4,5-trichlorophenoxy)acetyl]amino]oxyacetamide (PubChem CID 112550685) has the molecular formula C10H9Cl3N2O4 and a molecular weight of 327.55 g/mol. Its IUPAC name is 2-[[2-(2,4,5-trichlorophenoxy)acetyl]amino]oxyacetamide.

Molecular Properties

Compound Name2-[[2-(2,4,5-trichlorophenoxy)acetyl]amino]oxyacetamide
PubChem CID112550685
Molecular FormulaC10H9Cl3N2O4
Molecular Weight327.55 g/mol
Exact Mass325.96
IUPAC Name2-[[2-(2,4,5-trichlorophenoxy)acetyl]amino]oxyacetamide
SMILESNC(=O)CONC(=O)COc1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C10H9Cl3N2O4/c11-5-1-7(13)8(2-6(5)12)18-4-10(17)15-19-3-9(14)16/h1-2H,3-4H2,(H2,14,16)(H,15,17)
InChIKeySUOCTCUSWJNKRA-UHFFFAOYSA-N
XLogP1.56
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.55
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2,4,5-trichlorophenoxy)-N-(2,2,2-trifluoroethoxy)acetamide
CID 81340218
N-[(2S)-1-aminopropan-2-yl]-2-(2,4,5-trichlorophenoxy)acetamide;hydrochloride
CID 120509155
N-[(2R)-1-methoxypropan-2-yl]-2-(2,4,5-trichlorophenoxy)acetamide
CID 7832745
(2R)-2-[[2-(2,4,5-trichlorophenoxy)acetyl]amino]propanoic acid
CID 54991090
methyl (2S)-3-methyl-2-[[2-(2,4,5-trichlorophenoxy)acetyl]amino]butanoate
CID 22294441
2-[[2-(2,4-dichlorophenoxy)acetyl]amino]oxyacetic acid
CID 60668024
N-(4-aminophenyl)-2-(2,4,5-trichlorophenoxy)acetamide
CID 29274448
amino 2-(2,4,5-trichlorophenoxy)acetate
CID 56607198
N-(propan-2-ylideneamino)-2-(2,4,5-trichlorophenoxy)acetamide
CID 4604451
N-(2-acetamidoethyl)-2-(2,4,5-trichlorophenoxy)acetamide
CID 2454817
[2-(tert-butylamino)-2-oxoethyl] 2-(2,4,5-trichlorophenoxy)acetate
CID 8785732
N-(1-amino-2-methylpropan-2-yl)-2-(2,4,5-trichlorophenoxy)acetamide;hydrochloride
CID 119524297

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,4,5-trichlorophenoxy)acetyl]amino]oxyacetamide?
The IUPAC name of 2-[[2-(2,4,5-trichlorophenoxy)acetyl]amino]oxyacetamide (CID 112550685) is 2-[[2-(2,4,5-trichlorophenoxy)acetyl]amino]oxyacetamide.
What is the SMILES notation for 2-[[2-(2,4,5-trichlorophenoxy)acetyl]amino]oxyacetamide?
The canonical SMILES for 2-[[2-(2,4,5-trichlorophenoxy)acetyl]amino]oxyacetamide is NC(=O)CONC(=O)COc1cc(Cl)c(Cl)cc1Cl.
What is the InChIKey of 2-[[2-(2,4,5-trichlorophenoxy)acetyl]amino]oxyacetamide?
The InChIKey is SUOCTCUSWJNKRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl3N2O4/c11-5-1-7(13)8(2-6(5)12)18-4-10(17)15-19-3-9(14)16/h1-2H,3-4H2,(H2,14,16)(H,15,17).
What are the key properties of 2-[[2-(2,4,5-trichlorophenoxy)acetyl]amino]oxyacetamide?
2-[[2-(2,4,5-trichlorophenoxy)acetyl]amino]oxyacetamide has a molecular weight of 327.55 g/mol, XLogP of 1.56, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,4,5-trichlorophenoxy)acetyl]amino]oxyacetamide is sourced from PubChem (CID 112550685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).