2-[[2-(4-bromo-3-fluorophenyl)acetyl]-(2-methoxyethyl)amino]acetic acid

C13H15BrFNO4 — CID 120516212

IUPAC2-[[2-(4-bromo-3-fluorophenyl)acetyl]-(2-methoxyethyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)Cc1ccc(Br)c(F)c1
InChIInChI=1S/C13H15BrFNO4/c1-20-5-4-16(8-13(18)19)12(17)7-9-2-3-10(14)11(15)6-9/h2-3,6H,4-5,7-8H2,1H3,(H,18,19)
InChIKeyYVSZUYGROCRXTQ-UHFFFAOYSA-N
MW348.17 g/mol
LogP1.69
Rot. Bonds7

About 2-[[2-(4-bromo-3-fluorophenyl)acetyl]-(2-methoxyethyl)amino]acetic acid

2-[[2-(4-bromo-3-fluorophenyl)acetyl]-(2-methoxyethyl)amino]acetic acid (PubChem CID 120516212) has the molecular formula C13H15BrFNO4 and a molecular weight of 348.17 g/mol. Its IUPAC name is 2-[[2-(4-bromo-3-fluorophenyl)acetyl]-(2-methoxyethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[2-(4-bromo-3-fluorophenyl)acetyl]-(2-methoxyethyl)amino]acetic acid
PubChem CID120516212
Molecular FormulaC13H15BrFNO4
Molecular Weight348.17 g/mol
Exact Mass347.02
IUPAC Name2-[[2-(4-bromo-3-fluorophenyl)acetyl]-(2-methoxyethyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)Cc1ccc(Br)c(F)c1
InChIInChI=1S/C13H15BrFNO4/c1-20-5-4-16(8-13(18)19)12(17)7-9-2-3-10(14)11(15)6-9/h2-3,6H,4-5,7-8H2,1H3,(H,18,19)
InChIKeyYVSZUYGROCRXTQ-UHFFFAOYSA-N
XLogP1.69
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.17
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[[2-(4-bromo-3-fluorophenyl)acetyl]-(2-methoxyethyl)amino]acetic acid with MolForge

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Related Compounds

2-[(4-bromo-3-fluorophenyl)methyl-(2-methoxyethyl)amino]acetic acid
CID 81441647
2-[[2-(3-iodophenyl)acetyl]-(2-methoxyethyl)amino]acetic acid
CID 119348042
2-[2-methoxyethyl-(2-pyridin-4-ylacetyl)amino]acetic acid
CID 54969241
2-[3-(4-bromophenyl)propanoyl-(2-methoxyethyl)amino]acetic acid
CID 119348164
2-[[2-(4-ethylsulfonylphenyl)acetyl]-(2-methoxyethyl)amino]acetic acid
CID 119189031
2-[(3-bromo-2-fluorobenzoyl)-(2-methoxyethyl)amino]acetic acid
CID 107949094
2-(4-bromo-3-fluorophenyl)-N-[(2S)-2-hydroxy-3-methoxypropyl]acetamide
CID 97240175
2-[[2-(6-fluoro-1H-indol-3-yl)acetyl]-(2-methoxyethyl)amino]acetic acid
CID 119189734
N-benzyl-2-(4-fluorophenyl)-N-(2-methoxyethyl)acetamide
CID 78781458
2-(4-bromo-3-fluorophenyl)-N-cyclopropyl-N-methylacetamide
CID 176515895
2-(3-bromophenyl)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)acetamide
CID 115902380
2-[2-methoxyethyl-[2-(1,2-oxazol-3-yl)acetyl]amino]acetic acid
CID 119189305

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-bromo-3-fluorophenyl)acetyl]-(2-methoxyethyl)amino]acetic acid?
The IUPAC name of 2-[[2-(4-bromo-3-fluorophenyl)acetyl]-(2-methoxyethyl)amino]acetic acid (CID 120516212) is 2-[[2-(4-bromo-3-fluorophenyl)acetyl]-(2-methoxyethyl)amino]acetic acid.
What is the SMILES notation for 2-[[2-(4-bromo-3-fluorophenyl)acetyl]-(2-methoxyethyl)amino]acetic acid?
The canonical SMILES for 2-[[2-(4-bromo-3-fluorophenyl)acetyl]-(2-methoxyethyl)amino]acetic acid is COCCN(CC(=O)O)C(=O)Cc1ccc(Br)c(F)c1.
What is the InChIKey of 2-[[2-(4-bromo-3-fluorophenyl)acetyl]-(2-methoxyethyl)amino]acetic acid?
The InChIKey is YVSZUYGROCRXTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrFNO4/c1-20-5-4-16(8-13(18)19)12(17)7-9-2-3-10(14)11(15)6-9/h2-3,6H,4-5,7-8H2,1H3,(H,18,19).
What are the key properties of 2-[[2-(4-bromo-3-fluorophenyl)acetyl]-(2-methoxyethyl)amino]acetic acid?
2-[[2-(4-bromo-3-fluorophenyl)acetyl]-(2-methoxyethyl)amino]acetic acid has a molecular weight of 348.17 g/mol, XLogP of 1.69, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-bromo-3-fluorophenyl)acetyl]-(2-methoxyethyl)amino]acetic acid is sourced from PubChem (CID 120516212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).