2-(3-chloro-N-ethyl-4-fluoroanilino)acetic acid

C10H11ClFNO2 — CID 83560721

IUPAC2-(3-chloro-N-ethyl-4-fluoroanilino)acetic acid
SMILESCCN(CC(=O)O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C10H11ClFNO2/c1-2-13(6-10(14)15)7-3-4-9(12)8(11)5-7/h3-5H,2,6H2,1H3,(H,14,15)
InChIKeyGBZYEYCMIMUFEL-UHFFFAOYSA-N
MW231.65 g/mol
LogP2.39
Rot. Bonds4

About 2-(3-chloro-N-ethyl-4-fluoroanilino)acetic acid

2-(3-chloro-N-ethyl-4-fluoroanilino)acetic acid (PubChem CID 83560721) has the molecular formula C10H11ClFNO2 and a molecular weight of 231.65 g/mol. Its IUPAC name is 2-(3-chloro-N-ethyl-4-fluoroanilino)acetic acid.

Molecular Properties

Compound Name2-(3-chloro-N-ethyl-4-fluoroanilino)acetic acid
PubChem CID83560721
Molecular FormulaC10H11ClFNO2
Molecular Weight231.65 g/mol
Exact Mass231.05
IUPAC Name2-(3-chloro-N-ethyl-4-fluoroanilino)acetic acid
SMILESCCN(CC(=O)O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C10H11ClFNO2/c1-2-13(6-10(14)15)7-3-4-9(12)8(11)5-7/h3-5H,2,6H2,1H3,(H,14,15)
InChIKeyGBZYEYCMIMUFEL-UHFFFAOYSA-N
XLogP2.39
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.65
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3-chloro-N-ethyl-4-fluoroanilino)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-(3-chloro-N-ethyl-4-fluoroanilino)acetic acid?
The IUPAC name of 2-(3-chloro-N-ethyl-4-fluoroanilino)acetic acid (CID 83560721) is 2-(3-chloro-N-ethyl-4-fluoroanilino)acetic acid.
What is the SMILES notation for 2-(3-chloro-N-ethyl-4-fluoroanilino)acetic acid?
The canonical SMILES for 2-(3-chloro-N-ethyl-4-fluoroanilino)acetic acid is CCN(CC(=O)O)c1ccc(F)c(Cl)c1.
What is the InChIKey of 2-(3-chloro-N-ethyl-4-fluoroanilino)acetic acid?
The InChIKey is GBZYEYCMIMUFEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClFNO2/c1-2-13(6-10(14)15)7-3-4-9(12)8(11)5-7/h3-5H,2,6H2,1H3,(H,14,15).
What are the key properties of 2-(3-chloro-N-ethyl-4-fluoroanilino)acetic acid?
2-(3-chloro-N-ethyl-4-fluoroanilino)acetic acid has a molecular weight of 231.65 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-N-ethyl-4-fluoroanilino)acetic acid is sourced from PubChem (CID 83560721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).