2-[1-(2-chloro-4-fluorophenyl)ethyl-(2-methoxyethyl)amino]acetic acid

C13H17ClFNO3 — CID 65067063

IUPAC2-[1-(2-chloro-4-fluorophenyl)ethyl-(2-methoxyethyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)C(C)c1ccc(F)cc1Cl
InChIInChI=1S/C13H17ClFNO3/c1-9(11-4-3-10(15)7-12(11)14)16(5-6-19-2)8-13(17)18/h3-4,7,9H,5-6,8H2,1-2H3,(H,17,18)
InChIKeyMUZGNADJRATRLX-UHFFFAOYSA-N
MW289.73 g/mol
LogP2.57
Rot. Bonds7

About 2-[1-(2-chloro-4-fluorophenyl)ethyl-(2-methoxyethyl)amino]acetic acid

2-[1-(2-chloro-4-fluorophenyl)ethyl-(2-methoxyethyl)amino]acetic acid (PubChem CID 65067063) has the molecular formula C13H17ClFNO3 and a molecular weight of 289.73 g/mol. Its IUPAC name is 2-[1-(2-chloro-4-fluorophenyl)ethyl-(2-methoxyethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[1-(2-chloro-4-fluorophenyl)ethyl-(2-methoxyethyl)amino]acetic acid
PubChem CID65067063
Molecular FormulaC13H17ClFNO3
Molecular Weight289.73 g/mol
Exact Mass289.09
IUPAC Name2-[1-(2-chloro-4-fluorophenyl)ethyl-(2-methoxyethyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)C(C)c1ccc(F)cc1Cl
InChIInChI=1S/C13H17ClFNO3/c1-9(11-4-3-10(15)7-12(11)14)16(5-6-19-2)8-13(17)18/h3-4,7,9H,5-6,8H2,1-2H3,(H,17,18)
InChIKeyMUZGNADJRATRLX-UHFFFAOYSA-N
XLogP2.57
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.73
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[1-(2-chloro-4-fluorophenyl)ethyl-(2-methoxyethyl)amino]acetic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-chloro-4-fluorophenyl)ethyl-(2-methoxyethyl)amino]acetic acid?
The IUPAC name of 2-[1-(2-chloro-4-fluorophenyl)ethyl-(2-methoxyethyl)amino]acetic acid (CID 65067063) is 2-[1-(2-chloro-4-fluorophenyl)ethyl-(2-methoxyethyl)amino]acetic acid.
What is the SMILES notation for 2-[1-(2-chloro-4-fluorophenyl)ethyl-(2-methoxyethyl)amino]acetic acid?
The canonical SMILES for 2-[1-(2-chloro-4-fluorophenyl)ethyl-(2-methoxyethyl)amino]acetic acid is COCCN(CC(=O)O)C(C)c1ccc(F)cc1Cl.
What is the InChIKey of 2-[1-(2-chloro-4-fluorophenyl)ethyl-(2-methoxyethyl)amino]acetic acid?
The InChIKey is MUZGNADJRATRLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFNO3/c1-9(11-4-3-10(15)7-12(11)14)16(5-6-19-2)8-13(17)18/h3-4,7,9H,5-6,8H2,1-2H3,(H,17,18).
What are the key properties of 2-[1-(2-chloro-4-fluorophenyl)ethyl-(2-methoxyethyl)amino]acetic acid?
2-[1-(2-chloro-4-fluorophenyl)ethyl-(2-methoxyethyl)amino]acetic acid has a molecular weight of 289.73 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-chloro-4-fluorophenyl)ethyl-(2-methoxyethyl)amino]acetic acid is sourced from PubChem (CID 65067063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).