2-acetamido-3-(2-chloro-5-fluorophenoxy)propanoic acid

C11H11ClFNO4 — CID 114264196

IUPAC2-acetamido-3-(2-chloro-5-fluorophenoxy)propanoic acid
SMILESCC(=O)NC(COc1cc(F)ccc1Cl)C(=O)O
InChIInChI=1S/C11H11ClFNO4/c1-6(15)14-9(11(16)17)5-18-10-4-7(13)2-3-8(10)12/h2-4,9H,5H2,1H3,(H,14,15)(H,16,17)
InChIKeyFISFOHFVBCAOQX-UHFFFAOYSA-N
MW275.66 g/mol
LogP1.45
Rot. Bonds5

About 2-acetamido-3-(2-chloro-5-fluorophenoxy)propanoic acid

2-acetamido-3-(2-chloro-5-fluorophenoxy)propanoic acid (PubChem CID 114264196) has the molecular formula C11H11ClFNO4 and a molecular weight of 275.66 g/mol. Its IUPAC name is 2-acetamido-3-(2-chloro-5-fluorophenoxy)propanoic acid.

Molecular Properties

Compound Name2-acetamido-3-(2-chloro-5-fluorophenoxy)propanoic acid
PubChem CID114264196
Molecular FormulaC11H11ClFNO4
Molecular Weight275.66 g/mol
Exact Mass275.04
IUPAC Name2-acetamido-3-(2-chloro-5-fluorophenoxy)propanoic acid
SMILESCC(=O)NC(COc1cc(F)ccc1Cl)C(=O)O
InChIInChI=1S/C11H11ClFNO4/c1-6(15)14-9(11(16)17)5-18-10-4-7(13)2-3-8(10)12/h2-4,9H,5H2,1H3,(H,14,15)(H,16,17)
InChIKeyFISFOHFVBCAOQX-UHFFFAOYSA-N
XLogP1.45
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.66
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-acetamido-3-(2-chloro-5-fluorophenoxy)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-acetamido-3-(2-chlorophenoxy)propanoic acid
CID 65443959
2-acetamido-3-(4-fluorophenoxy)propanoic acid
CID 65442176
2-acetamido-3-(3-chloro-4-fluorophenoxy)propanoic acid
CID 65443573
2-acetamido-3-(2-bromo-4-chlorophenoxy)propanoic acid
CID 65441782
2-acetamido-3-(2-bromophenoxy)propanoic acid
CID 65442968
2-(2-chloro-5-fluorophenoxy)propanoic acid
CID 126975852
2-acetamido-3-(2-methylsulfanylphenoxy)propanoic acid
CID 65441415
2-acetamido-3-(2-methoxyphenoxy)propanoic acid
CID 65443160
2-acetamido-3-(5-chloro-2-cyanophenoxy)propanoic acid
CID 113277242
2-acetamido-3-[2-(trifluoromethyl)phenoxy]propanoic acid
CID 65442776
2-acetamido-3-(2-iodophenoxy)propanoic acid
CID 65443376
(2R)-2-acetamido-3-[(2-chloro-5-fluorophenyl)methylsulfinyl]propanoic acid
CID 107775444

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-3-(2-chloro-5-fluorophenoxy)propanoic acid?
The IUPAC name of 2-acetamido-3-(2-chloro-5-fluorophenoxy)propanoic acid (CID 114264196) is 2-acetamido-3-(2-chloro-5-fluorophenoxy)propanoic acid.
What is the SMILES notation for 2-acetamido-3-(2-chloro-5-fluorophenoxy)propanoic acid?
The canonical SMILES for 2-acetamido-3-(2-chloro-5-fluorophenoxy)propanoic acid is CC(=O)NC(COc1cc(F)ccc1Cl)C(=O)O.
What is the InChIKey of 2-acetamido-3-(2-chloro-5-fluorophenoxy)propanoic acid?
The InChIKey is FISFOHFVBCAOQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClFNO4/c1-6(15)14-9(11(16)17)5-18-10-4-7(13)2-3-8(10)12/h2-4,9H,5H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 2-acetamido-3-(2-chloro-5-fluorophenoxy)propanoic acid?
2-acetamido-3-(2-chloro-5-fluorophenoxy)propanoic acid has a molecular weight of 275.66 g/mol, XLogP of 1.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-3-(2-chloro-5-fluorophenoxy)propanoic acid is sourced from PubChem (CID 114264196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).