2-(4-chloro-3-fluorophenyl)-2-[2-methoxyethyl(methyl)amino]acetic acid

C12H15ClFNO3 — CID 72838826

IUPAC2-(4-chloro-3-fluorophenyl)-2-[2-methoxyethyl(methyl)amino]acetic acid
SMILESCOCCN(C)C(C(=O)O)c1ccc(Cl)c(F)c1
InChIInChI=1S/C12H15ClFNO3/c1-15(5-6-18-2)11(12(16)17)8-3-4-9(13)10(14)7-8/h3-4,7,11H,5-6H2,1-2H3,(H,16,17)
InChIKeyWJMKEGUSLQOHNX-UHFFFAOYSA-N
MW275.71 g/mol
LogP2.18
Rot. Bonds6

About 2-(4-chloro-3-fluorophenyl)-2-[2-methoxyethyl(methyl)amino]acetic acid

2-(4-chloro-3-fluorophenyl)-2-[2-methoxyethyl(methyl)amino]acetic acid (PubChem CID 72838826) has the molecular formula C12H15ClFNO3 and a molecular weight of 275.71 g/mol. Its IUPAC name is 2-(4-chloro-3-fluorophenyl)-2-[2-methoxyethyl(methyl)amino]acetic acid.

Molecular Properties

Compound Name2-(4-chloro-3-fluorophenyl)-2-[2-methoxyethyl(methyl)amino]acetic acid
PubChem CID72838826
Molecular FormulaC12H15ClFNO3
Molecular Weight275.71 g/mol
Exact Mass275.07
IUPAC Name2-(4-chloro-3-fluorophenyl)-2-[2-methoxyethyl(methyl)amino]acetic acid
SMILESCOCCN(C)C(C(=O)O)c1ccc(Cl)c(F)c1
InChIInChI=1S/C12H15ClFNO3/c1-15(5-6-18-2)11(12(16)17)8-3-4-9(13)10(14)7-8/h3-4,7,11H,5-6H2,1-2H3,(H,16,17)
InChIKeyWJMKEGUSLQOHNX-UHFFFAOYSA-N
XLogP2.18
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.71
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-chloro-3-fluorophenyl)-2-[2-methoxyethyl(methyl)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-(4-chloro-3-fluorophenyl)-2-[2-methoxyethyl(methyl)amino]acetic acid?
The IUPAC name of 2-(4-chloro-3-fluorophenyl)-2-[2-methoxyethyl(methyl)amino]acetic acid (CID 72838826) is 2-(4-chloro-3-fluorophenyl)-2-[2-methoxyethyl(methyl)amino]acetic acid.
What is the SMILES notation for 2-(4-chloro-3-fluorophenyl)-2-[2-methoxyethyl(methyl)amino]acetic acid?
The canonical SMILES for 2-(4-chloro-3-fluorophenyl)-2-[2-methoxyethyl(methyl)amino]acetic acid is COCCN(C)C(C(=O)O)c1ccc(Cl)c(F)c1.
What is the InChIKey of 2-(4-chloro-3-fluorophenyl)-2-[2-methoxyethyl(methyl)amino]acetic acid?
The InChIKey is WJMKEGUSLQOHNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFNO3/c1-15(5-6-18-2)11(12(16)17)8-3-4-9(13)10(14)7-8/h3-4,7,11H,5-6H2,1-2H3,(H,16,17).
What are the key properties of 2-(4-chloro-3-fluorophenyl)-2-[2-methoxyethyl(methyl)amino]acetic acid?
2-(4-chloro-3-fluorophenyl)-2-[2-methoxyethyl(methyl)amino]acetic acid has a molecular weight of 275.71 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-fluorophenyl)-2-[2-methoxyethyl(methyl)amino]acetic acid is sourced from PubChem (CID 72838826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).