2-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]oxyacetic acid

C10H9BrClNO5 — CID 60668138

IUPAC2-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]oxyacetic acid
SMILESO=C(O)CONC(=O)COc1ccc(Cl)cc1Br
InChIInChI=1S/C10H9BrClNO5/c11-7-3-6(12)1-2-8(7)17-4-9(14)13-18-5-10(15)16/h1-3H,4-5H2,(H,13,14)(H,15,16)
InChIKeyQLKXMIGXHSOGTA-UHFFFAOYSA-N
MW338.54 g/mol
LogP1.61
Rot. Bonds6

About 2-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]oxyacetic acid

2-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]oxyacetic acid (PubChem CID 60668138) has the molecular formula C10H9BrClNO5 and a molecular weight of 338.54 g/mol. Its IUPAC name is 2-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]oxyacetic acid.

Molecular Properties

Compound Name2-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]oxyacetic acid
PubChem CID60668138
Molecular FormulaC10H9BrClNO5
Molecular Weight338.54 g/mol
Exact Mass336.94
IUPAC Name2-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]oxyacetic acid
SMILESO=C(O)CONC(=O)COc1ccc(Cl)cc1Br
InChIInChI=1S/C10H9BrClNO5/c11-7-3-6(12)1-2-8(7)17-4-9(14)13-18-5-10(15)16/h1-3H,4-5H2,(H,13,14)(H,15,16)
InChIKeyQLKXMIGXHSOGTA-UHFFFAOYSA-N
XLogP1.61
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.54
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-(2,4-dichlorophenoxy)acetyl]amino]oxyacetic acid
CID 60668024
2-[[2-(2,4-dibromophenoxy)acetyl]amino]oxyacetic acid
CID 60668042
2-(2-bromo-4-chlorophenoxy)-N-phenylmethoxyacetamide
CID 9227433
2-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]acetic acid
CID 43091937
2-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]butanedioic acid
CID 78910185
2-(2-bromo-4-chlorophenoxy)-N'-[2-(2-chlorophenoxy)acetyl]acetohydrazide
CID 5229550
2-(2-bromo-4-chlorophenoxy)-N-propan-2-ylacetamide
CID 965257
N-(4-aminophenyl)-2-(2-bromo-4-chlorophenoxy)acetamide
CID 29276938
2-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]-2-methylpropanamide
CID 56819453
N-(4-amino-2-chlorophenyl)-2-(2-bromo-4-chlorophenoxy)acetamide
CID 28510783
(2R)-2-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]-3-methylbutanoic acid
CID 79011222
methyl (2S)-2-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]-3-hydroxypropanoate
CID 9277756

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]oxyacetic acid?
The IUPAC name of 2-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]oxyacetic acid (CID 60668138) is 2-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]oxyacetic acid.
What is the SMILES notation for 2-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]oxyacetic acid?
The canonical SMILES for 2-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]oxyacetic acid is O=C(O)CONC(=O)COc1ccc(Cl)cc1Br.
What is the InChIKey of 2-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]oxyacetic acid?
The InChIKey is QLKXMIGXHSOGTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrClNO5/c11-7-3-6(12)1-2-8(7)17-4-9(14)13-18-5-10(15)16/h1-3H,4-5H2,(H,13,14)(H,15,16).
What are the key properties of 2-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]oxyacetic acid?
2-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]oxyacetic acid has a molecular weight of 338.54 g/mol, XLogP of 1.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]oxyacetic acid is sourced from PubChem (CID 60668138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).