2-[2-(2,6-dichloroanilino)phenyl]propanoic acid

C15H13Cl2NO2 — CID 45269905

IUPAC2-[2-(2,6-dichloroanilino)phenyl]propanoic acid
SMILESCC(C(=O)O)c1ccccc1Nc1c(Cl)cccc1Cl
InChIInChI=1S/C15H13Cl2NO2/c1-9(15(19)20)10-5-2-3-8-13(10)18-14-11(16)6-4-7-12(14)17/h2-9,18H,1H3,(H,19,20)
InChIKeyQKZXQNPQDHXWTI-UHFFFAOYSA-N
MW310.18 g/mol
LogP4.93
Rot. Bonds4

About 2-[2-(2,6-dichloroanilino)phenyl]propanoic acid

2-[2-(2,6-dichloroanilino)phenyl]propanoic acid (PubChem CID 45269905) has the molecular formula C15H13Cl2NO2 and a molecular weight of 310.18 g/mol. Its IUPAC name is 2-[2-(2,6-dichloroanilino)phenyl]propanoic acid.

Molecular Properties

Compound Name2-[2-(2,6-dichloroanilino)phenyl]propanoic acid
PubChem CID45269905
Molecular FormulaC15H13Cl2NO2
Molecular Weight310.18 g/mol
Exact Mass309.03
IUPAC Name2-[2-(2,6-dichloroanilino)phenyl]propanoic acid
SMILESCC(C(=O)O)c1ccccc1Nc1c(Cl)cccc1Cl
InChIInChI=1S/C15H13Cl2NO2/c1-9(15(19)20)10-5-2-3-8-13(10)18-14-11(16)6-4-7-12(14)17/h2-9,18H,1H3,(H,19,20)
InChIKeyQKZXQNPQDHXWTI-UHFFFAOYSA-N
XLogP4.93
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.18
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[2-(2,6-dichloroanilino)phenyl]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

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,6-dichloroanilino)phenyl]propanoic acid?
The IUPAC name of 2-[2-(2,6-dichloroanilino)phenyl]propanoic acid (CID 45269905) is 2-[2-(2,6-dichloroanilino)phenyl]propanoic acid.
What is the SMILES notation for 2-[2-(2,6-dichloroanilino)phenyl]propanoic acid?
The canonical SMILES for 2-[2-(2,6-dichloroanilino)phenyl]propanoic acid is CC(C(=O)O)c1ccccc1Nc1c(Cl)cccc1Cl.
What is the InChIKey of 2-[2-(2,6-dichloroanilino)phenyl]propanoic acid?
The InChIKey is QKZXQNPQDHXWTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2NO2/c1-9(15(19)20)10-5-2-3-8-13(10)18-14-11(16)6-4-7-12(14)17/h2-9,18H,1H3,(H,19,20).
What are the key properties of 2-[2-(2,6-dichloroanilino)phenyl]propanoic acid?
2-[2-(2,6-dichloroanilino)phenyl]propanoic acid has a molecular weight of 310.18 g/mol, XLogP of 4.93, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,6-dichloroanilino)phenyl]propanoic acid is sourced from PubChem (CID 45269905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).