2-(2-chloro-6-fluoroanilino)-2-phenylpropanoic acid

C15H13ClFNO2 — CID 174447826

IUPAC2-(2-chloro-6-fluoroanilino)-2-phenylpropanoic acid
SMILESCC(Nc1c(F)cccc1Cl)(C(=O)O)c1ccccc1
InChIInChI=1S/C15H13ClFNO2/c1-15(14(19)20,10-6-3-2-4-7-10)18-13-11(16)8-5-9-12(13)17/h2-9,18H,1H3,(H,19,20)
InChIKeyFQRZNNVCMMGTKJ-UHFFFAOYSA-N
MW293.73 g/mol
LogP3.89
Rot. Bonds4

About 2-(2-chloro-6-fluoroanilino)-2-phenylpropanoic acid

2-(2-chloro-6-fluoroanilino)-2-phenylpropanoic acid (PubChem CID 174447826) has the molecular formula C15H13ClFNO2 and a molecular weight of 293.73 g/mol. Its IUPAC name is 2-(2-chloro-6-fluoroanilino)-2-phenylpropanoic acid.

Molecular Properties

Compound Name2-(2-chloro-6-fluoroanilino)-2-phenylpropanoic acid
PubChem CID174447826
Molecular FormulaC15H13ClFNO2
Molecular Weight293.73 g/mol
Exact Mass293.06
IUPAC Name2-(2-chloro-6-fluoroanilino)-2-phenylpropanoic acid
SMILESCC(Nc1c(F)cccc1Cl)(C(=O)O)c1ccccc1
InChIInChI=1S/C15H13ClFNO2/c1-15(14(19)20,10-6-3-2-4-7-10)18-13-11(16)8-5-9-12(13)17/h2-9,18H,1H3,(H,19,20)
InChIKeyFQRZNNVCMMGTKJ-UHFFFAOYSA-N
XLogP3.89
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.73
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(2-chloro-6-fluoroanilino)-2-phenylpropanoic 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-(2-chloro-6-fluoroanilino)-2-phenylpropanoic acid?
The IUPAC name of 2-(2-chloro-6-fluoroanilino)-2-phenylpropanoic acid (CID 174447826) is 2-(2-chloro-6-fluoroanilino)-2-phenylpropanoic acid.
What is the SMILES notation for 2-(2-chloro-6-fluoroanilino)-2-phenylpropanoic acid?
The canonical SMILES for 2-(2-chloro-6-fluoroanilino)-2-phenylpropanoic acid is CC(Nc1c(F)cccc1Cl)(C(=O)O)c1ccccc1.
What is the InChIKey of 2-(2-chloro-6-fluoroanilino)-2-phenylpropanoic acid?
The InChIKey is FQRZNNVCMMGTKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFNO2/c1-15(14(19)20,10-6-3-2-4-7-10)18-13-11(16)8-5-9-12(13)17/h2-9,18H,1H3,(H,19,20).
What are the key properties of 2-(2-chloro-6-fluoroanilino)-2-phenylpropanoic acid?
2-(2-chloro-6-fluoroanilino)-2-phenylpropanoic acid has a molecular weight of 293.73 g/mol, XLogP of 3.89, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluoroanilino)-2-phenylpropanoic acid is sourced from PubChem (CID 174447826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).