4-amino-3-(2-chloro-5-fluorophenoxy)benzoic acid

C13H9ClFNO3 — CID 114264294

IUPAC4-amino-3-(2-chloro-5-fluorophenoxy)benzoic acid
SMILESNc1ccc(C(=O)O)cc1Oc1cc(F)ccc1Cl
InChIInChI=1S/C13H9ClFNO3/c14-9-3-2-8(15)6-11(9)19-12-5-7(13(17)18)1-4-10(12)16/h1-6H,16H2,(H,17,18)
InChIKeyQSOZWNLUAYMUJG-UHFFFAOYSA-N
MW281.67 g/mol
LogP3.55
Rot. Bonds3

About 4-amino-3-(2-chloro-5-fluorophenoxy)benzoic acid

4-amino-3-(2-chloro-5-fluorophenoxy)benzoic acid (PubChem CID 114264294) has the molecular formula C13H9ClFNO3 and a molecular weight of 281.67 g/mol. Its IUPAC name is 4-amino-3-(2-chloro-5-fluorophenoxy)benzoic acid.

Molecular Properties

Compound Name4-amino-3-(2-chloro-5-fluorophenoxy)benzoic acid
PubChem CID114264294
Molecular FormulaC13H9ClFNO3
Molecular Weight281.67 g/mol
Exact Mass281.03
IUPAC Name4-amino-3-(2-chloro-5-fluorophenoxy)benzoic acid
SMILESNc1ccc(C(=O)O)cc1Oc1cc(F)ccc1Cl
InChIInChI=1S/C13H9ClFNO3/c14-9-3-2-8(15)6-11(9)19-12-5-7(13(17)18)1-4-10(12)16/h1-6H,16H2,(H,17,18)
InChIKeyQSOZWNLUAYMUJG-UHFFFAOYSA-N
XLogP3.55
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.67
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-amino-3-(2-chloro-5-fluorophenoxy)benzoic 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

4-amino-3-(2-chloro-4-methylphenoxy)benzoic acid
CID 82795757
4-(2-amino-5-fluorophenoxy)-3-methoxybenzamide
CID 62376981
methyl 4-amino-3-(5-fluoro-2-methylphenoxy)benzoate
CID 102982938
2-(4-bromo-2-chloro-5-fluorophenoxy)-4-fluoroaniline
CID 114270895
4-amino-3-[(2-methyl-3-pyridinyl)oxy]benzoic acid
CID 82795845
2-(2-chloro-5-fluorophenoxy)-6-methylpyridine-4-carboxylic acid
CID 114264226
3-chloro-4-(2,5-dichlorophenoxy)benzoic acid
CID 63513310
4-amino-3-(4-carbamoylphenoxy)benzoic acid
CID 82796681
4-amino-3-[(2-chloro-6-fluorophenyl)methoxy]benzoic acid
CID 61496257
3-chloro-4-(5-fluoro-2-nitrophenoxy)benzoic acid
CID 62378183
4-chloro-2-(2-chloro-5-fluorophenoxy)-3-methylaniline
CID 112740963
4-amino-3-methoxybenzoic acid;ethane
CID 91282219

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(2-chloro-5-fluorophenoxy)benzoic acid?
The IUPAC name of 4-amino-3-(2-chloro-5-fluorophenoxy)benzoic acid (CID 114264294) is 4-amino-3-(2-chloro-5-fluorophenoxy)benzoic acid.
What is the SMILES notation for 4-amino-3-(2-chloro-5-fluorophenoxy)benzoic acid?
The canonical SMILES for 4-amino-3-(2-chloro-5-fluorophenoxy)benzoic acid is Nc1ccc(C(=O)O)cc1Oc1cc(F)ccc1Cl.
What is the InChIKey of 4-amino-3-(2-chloro-5-fluorophenoxy)benzoic acid?
The InChIKey is QSOZWNLUAYMUJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClFNO3/c14-9-3-2-8(15)6-11(9)19-12-5-7(13(17)18)1-4-10(12)16/h1-6H,16H2,(H,17,18).
What are the key properties of 4-amino-3-(2-chloro-5-fluorophenoxy)benzoic acid?
4-amino-3-(2-chloro-5-fluorophenoxy)benzoic acid has a molecular weight of 281.67 g/mol, XLogP of 3.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(2-chloro-5-fluorophenoxy)benzoic acid is sourced from PubChem (CID 114264294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).