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

C10H9BrClNO4 — CID 43091937

IUPAC2-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)COc1ccc(Cl)cc1Br
InChIInChI=1S/C10H9BrClNO4/c11-7-3-6(12)1-2-8(7)17-5-9(14)13-4-10(15)16/h1-3H,4-5H2,(H,13,14)(H,15,16)
InChIKeyDATGRJDWIKKGPL-UHFFFAOYSA-N
MW322.54 g/mol
LogP1.68
Rot. Bonds5

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

2-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]acetic acid (PubChem CID 43091937) has the molecular formula C10H9BrClNO4 and a molecular weight of 322.54 g/mol. Its IUPAC name is 2-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]acetic acid
PubChem CID43091937
Molecular FormulaC10H9BrClNO4
Molecular Weight322.54 g/mol
Exact Mass320.94
IUPAC Name2-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)COc1ccc(Cl)cc1Br
InChIInChI=1S/C10H9BrClNO4/c11-7-3-6(12)1-2-8(7)17-5-9(14)13-4-10(15)16/h1-3H,4-5H2,(H,13,14)(H,15,16)
InChIKeyDATGRJDWIKKGPL-UHFFFAOYSA-N
XLogP1.68
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.54
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]-N,N-dimethylacetamide
CID 8807752
2-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]oxyacetic acid
CID 60668138
2-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]butanedioic acid
CID 78910185
2-[[2-(2-bromophenoxy)acetyl]amino]acetic acid
CID 19176585
2-(2-bromo-4-chlorophenoxy)-N-pentylacetamide
CID 19201316
methyl 3-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]propanoate
CID 17401669
2-(2-bromo-4-chlorophenoxy)-N-(pyridin-4-ylmethyl)acetamide
CID 1287444
2-(2-bromo-4-chlorophenoxy)-N-[(4-methylphenyl)methyl]acetamide
CID 1289065
2-(2-bromo-4-chlorophenoxy)-N-propan-2-ylacetamide
CID 965257
2-(2-bromo-4-chlorophenoxy)-N'-[2-(2-chlorophenoxy)acetyl]acetohydrazide
CID 5229550
2-(2-bromo-4-chlorophenoxy)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 7975078
2-(2-bromo-4-chlorophenoxy)-N-(2-hydroxy-2-methylbutyl)acetamide
CID 65114245

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]acetic acid (CID 43091937) is 2-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]acetic acid is O=C(O)CNC(=O)COc1ccc(Cl)cc1Br.
What is the InChIKey of 2-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]acetic acid?
The InChIKey is DATGRJDWIKKGPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrClNO4/c11-7-3-6(12)1-2-8(7)17-5-9(14)13-4-10(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]acetic acid?
2-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]acetic acid has a molecular weight of 322.54 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]acetic acid is sourced from PubChem (CID 43091937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).