2-[[2-(2-bromo-4-fluorophenoxy)acetyl]-methylamino]acetic acid

C11H11BrFNO4 — CID 43239764

IUPAC2-[[2-(2-bromo-4-fluorophenoxy)acetyl]-methylamino]acetic acid
SMILESCN(CC(=O)O)C(=O)COc1ccc(F)cc1Br
InChIInChI=1S/C11H11BrFNO4/c1-14(5-11(16)17)10(15)6-18-9-3-2-7(13)4-8(9)12/h2-4H,5-6H2,1H3,(H,16,17)
InChIKeyLUCOXXHBOHUULQ-UHFFFAOYSA-N
MW320.11 g/mol
LogP1.51
Rot. Bonds5

About 2-[[2-(2-bromo-4-fluorophenoxy)acetyl]-methylamino]acetic acid

2-[[2-(2-bromo-4-fluorophenoxy)acetyl]-methylamino]acetic acid (PubChem CID 43239764) has the molecular formula C11H11BrFNO4 and a molecular weight of 320.11 g/mol. Its IUPAC name is 2-[[2-(2-bromo-4-fluorophenoxy)acetyl]-methylamino]acetic acid.

Molecular Properties

Compound Name2-[[2-(2-bromo-4-fluorophenoxy)acetyl]-methylamino]acetic acid
PubChem CID43239764
Molecular FormulaC11H11BrFNO4
Molecular Weight320.11 g/mol
Exact Mass318.99
IUPAC Name2-[[2-(2-bromo-4-fluorophenoxy)acetyl]-methylamino]acetic acid
SMILESCN(CC(=O)O)C(=O)COc1ccc(F)cc1Br
InChIInChI=1S/C11H11BrFNO4/c1-14(5-11(16)17)10(15)6-18-9-3-2-7(13)4-8(9)12/h2-4H,5-6H2,1H3,(H,16,17)
InChIKeyLUCOXXHBOHUULQ-UHFFFAOYSA-N
XLogP1.51
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.11
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(2-bromo-4-fluorophenoxy)acetyl]-cyclopropylamino]acetic acid
CID 60825836
2-[[2-(2-bromo-4-fluorophenoxy)acetyl]-methylamino]-N-(3,4-diethoxyphenyl)acetamide
CID 31185812
2-(2-bromo-4-fluorophenoxy)-N-cyclohexyl-N-methylacetamide
CID 112786473
N-(1,3-benzodioxol-5-ylmethyl)-2-(2-bromo-4-fluorophenoxy)-N-methylacetamide
CID 18116197
3-[[2-(2-bromo-4-fluorophenoxy)acetyl]-cyclopropylamino]propanoic acid
CID 60845240
2-(2-bromo-4-fluorophenoxy)-N,N-bis(2-hydroxyethyl)acetamide
CID 60653739
2-[[2-(2-bromo-4-fluorophenoxy)acetyl]-propan-2-ylamino]acetamide
CID 7997320
2-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]-N,N-dimethylacetamide
CID 8807867
2-(2-bromo-4-fluorophenoxy)-N,N-bis(prop-2-enyl)acetamide
CID 78765407
2-[4-(2,4-difluorophenoxy)butanoyl-methylamino]acetic acid
CID 119172006
2-[3-(2-bromo-4-chlorophenoxy)propanoyl-methylamino]acetic acid
CID 119346356
4-[[2-(2,4-dibromophenoxy)acetyl]-methylamino]butanoic acid
CID 43092375

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-bromo-4-fluorophenoxy)acetyl]-methylamino]acetic acid?
The IUPAC name of 2-[[2-(2-bromo-4-fluorophenoxy)acetyl]-methylamino]acetic acid (CID 43239764) is 2-[[2-(2-bromo-4-fluorophenoxy)acetyl]-methylamino]acetic acid.
What is the SMILES notation for 2-[[2-(2-bromo-4-fluorophenoxy)acetyl]-methylamino]acetic acid?
The canonical SMILES for 2-[[2-(2-bromo-4-fluorophenoxy)acetyl]-methylamino]acetic acid is CN(CC(=O)O)C(=O)COc1ccc(F)cc1Br.
What is the InChIKey of 2-[[2-(2-bromo-4-fluorophenoxy)acetyl]-methylamino]acetic acid?
The InChIKey is LUCOXXHBOHUULQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrFNO4/c1-14(5-11(16)17)10(15)6-18-9-3-2-7(13)4-8(9)12/h2-4H,5-6H2,1H3,(H,16,17).
What are the key properties of 2-[[2-(2-bromo-4-fluorophenoxy)acetyl]-methylamino]acetic acid?
2-[[2-(2-bromo-4-fluorophenoxy)acetyl]-methylamino]acetic acid has a molecular weight of 320.11 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-bromo-4-fluorophenoxy)acetyl]-methylamino]acetic acid is sourced from PubChem (CID 43239764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).