2-amino-6-(4-chloro-3-methylphenoxy)-3-fluorobenzoic acid

C14H11ClFNO3 — CID 83214998

IUPAC2-amino-6-(4-chloro-3-methylphenoxy)-3-fluorobenzoic acid
SMILESCc1cc(Oc2ccc(F)c(N)c2C(=O)O)ccc1Cl
InChIInChI=1S/C14H11ClFNO3/c1-7-6-8(2-3-9(7)15)20-11-5-4-10(16)13(17)12(11)14(18)19/h2-6H,17H2,1H3,(H,18,19)
InChIKeySFNZYFVBPDFTJF-UHFFFAOYSA-N
MW295.70 g/mol
LogP3.86
Rot. Bonds3

About 2-amino-6-(4-chloro-3-methylphenoxy)-3-fluorobenzoic acid

2-amino-6-(4-chloro-3-methylphenoxy)-3-fluorobenzoic acid (PubChem CID 83214998) has the molecular formula C14H11ClFNO3 and a molecular weight of 295.70 g/mol. Its IUPAC name is 2-amino-6-(4-chloro-3-methylphenoxy)-3-fluorobenzoic acid.

Molecular Properties

Compound Name2-amino-6-(4-chloro-3-methylphenoxy)-3-fluorobenzoic acid
PubChem CID83214998
Molecular FormulaC14H11ClFNO3
Molecular Weight295.70 g/mol
Exact Mass295.04
IUPAC Name2-amino-6-(4-chloro-3-methylphenoxy)-3-fluorobenzoic acid
SMILESCc1cc(Oc2ccc(F)c(N)c2C(=O)O)ccc1Cl
InChIInChI=1S/C14H11ClFNO3/c1-7-6-8(2-3-9(7)15)20-11-5-4-10(16)13(17)12(11)14(18)19/h2-6H,17H2,1H3,(H,18,19)
InChIKeySFNZYFVBPDFTJF-UHFFFAOYSA-N
XLogP3.86
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.70
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-amino-6-(4-chloro-3-methylphenoxy)-3-fluorobenzoic acid with MolForge

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

Launch Full Analysis

Related Compounds

2-amino-3-fluoro-6-(2,4,5-trichlorophenoxy)benzoic acid
CID 83206717
2-(4-chloro-3-methylphenoxy)-4,6-difluoroaniline
CID 113325400
2-amino-6-(2,3-dichlorophenoxy)-3-fluorobenzoic acid
CID 83214912
2-(4-chloro-3-methylphenoxy)-5-fluoroaniline
CID 26189668
2-amino-5-(4-chloro-3-methylphenoxy)benzoic acid
CID 60986913
2-amino-3-fluoro-6-(2-methylsulfanylphenoxy)benzoic acid
CID 83215087
4-bromo-2-(4-chloro-3-methylphenoxy)-5-fluoroaniline
CID 116736446
4-(4-chloro-3-fluorophenoxy)-2,6-dimethylpyridine-3-carboxylic acid
CID 82727618
2-(4-chlorophenoxy)-6-methylbenzoic acid
CID 53418754
2-amino-3-fluoro-6-(2-iodophenoxy)benzoic acid
CID 83215477
2-bromo-6-(3-chloro-4-fluorophenoxy)benzoic acid
CID 114888683
2-amino-6-(2-ethoxyphenoxy)-3-fluorobenzoic acid
CID 83206714

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(4-chloro-3-methylphenoxy)-3-fluorobenzoic acid?
The IUPAC name of 2-amino-6-(4-chloro-3-methylphenoxy)-3-fluorobenzoic acid (CID 83214998) is 2-amino-6-(4-chloro-3-methylphenoxy)-3-fluorobenzoic acid.
What is the SMILES notation for 2-amino-6-(4-chloro-3-methylphenoxy)-3-fluorobenzoic acid?
The canonical SMILES for 2-amino-6-(4-chloro-3-methylphenoxy)-3-fluorobenzoic acid is Cc1cc(Oc2ccc(F)c(N)c2C(=O)O)ccc1Cl.
What is the InChIKey of 2-amino-6-(4-chloro-3-methylphenoxy)-3-fluorobenzoic acid?
The InChIKey is SFNZYFVBPDFTJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFNO3/c1-7-6-8(2-3-9(7)15)20-11-5-4-10(16)13(17)12(11)14(18)19/h2-6H,17H2,1H3,(H,18,19).
What are the key properties of 2-amino-6-(4-chloro-3-methylphenoxy)-3-fluorobenzoic acid?
2-amino-6-(4-chloro-3-methylphenoxy)-3-fluorobenzoic acid has a molecular weight of 295.70 g/mol, XLogP of 3.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(4-chloro-3-methylphenoxy)-3-fluorobenzoic acid is sourced from PubChem (CID 83214998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).