2-hydroxy-5-[2-[2-(trifluoromethoxy)phenyl]ethylamino]benzoic acid

C16H14F3NO4 — CID 142683927

IUPAC2-hydroxy-5-[2-[2-(trifluoromethoxy)phenyl]ethylamino]benzoic acid
SMILESO=C(O)c1cc(NCCc2ccccc2OC(F)(F)F)ccc1O
InChIInChI=1S/C16H14F3NO4/c17-16(18,19)24-14-4-2-1-3-10(14)7-8-20-11-5-6-13(21)12(9-11)15(22)23/h1-6,9,20-21H,7-8H2,(H,22,23)
InChIKeyYQWZGKFDYHDASJ-UHFFFAOYSA-N
MW341.29 g/mol
LogP3.64
Rot. Bonds6

About 2-hydroxy-5-[2-[2-(trifluoromethoxy)phenyl]ethylamino]benzoic acid

2-hydroxy-5-[2-[2-(trifluoromethoxy)phenyl]ethylamino]benzoic acid (PubChem CID 142683927) has the molecular formula C16H14F3NO4 and a molecular weight of 341.29 g/mol. Its IUPAC name is 2-hydroxy-5-[2-[2-(trifluoromethoxy)phenyl]ethylamino]benzoic acid.

Molecular Properties

Compound Name2-hydroxy-5-[2-[2-(trifluoromethoxy)phenyl]ethylamino]benzoic acid
PubChem CID142683927
Molecular FormulaC16H14F3NO4
Molecular Weight341.29 g/mol
Exact Mass341.09
IUPAC Name2-hydroxy-5-[2-[2-(trifluoromethoxy)phenyl]ethylamino]benzoic acid
SMILESO=C(O)c1cc(NCCc2ccccc2OC(F)(F)F)ccc1O
InChIInChI=1S/C16H14F3NO4/c17-16(18,19)24-14-4-2-1-3-10(14)7-8-20-11-5-6-13(21)12(9-11)15(22)23/h1-6,9,20-21H,7-8H2,(H,22,23)
InChIKeyYQWZGKFDYHDASJ-UHFFFAOYSA-N
XLogP3.64
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.29
LogP ≤ 53.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-hydroxy-5-[2-[2-(trifluoromethoxy)phenyl]ethylamino]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

potassium 2-hydroxy-5-[2-(2-methoxyphenyl)ethylamino]benzoate
CID 142689383
sodium 2-hydroxy-5-[2-(2-methoxyphenyl)ethylamino]benzoate
CID 142689374
1,5-bis[2-(trifluoromethoxy)phenyl]pentan-3-one
CID 174483817
2-amino-5-[2-(2-methoxyphenyl)ethylamino]benzamide
CID 106262491
2-hydroxy-5-(trifluoromethoxy)benzoic acid
CID 2775103
3-amino-2-methyl-N-[2-[2-(trifluoromethoxy)phenyl]ethyl]butanamide;hydrochloride
CID 120502341
4-[2-[3-[2-(trifluoromethoxy)phenyl]propanoylamino]ethyl]benzoic acid
CID 119168879
5-chloro-2-[2-(trifluoromethoxy)phenyl]benzoic acid
CID 103694050
5-[(2-chlorophenoxy)carbonylamino]-2-hydroxybenzoic acid
CID 19001066
sodium 2-carboxy-4-[2-(2-nitrophenyl)ethylamino]phenolate
CID 142689334
5-[2-(4-chlorophenyl)ethylamino]-2-hydroxybenzoic acid;5-[2-(3,4-difluorophenyl)ethylamino]-2-hydroxybenzoic acid
CID 175364280
2-hydroxy-5-(3,3,3-trifluoropropanoylamino)benzoic acid
CID 16777039

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-[2-[2-(trifluoromethoxy)phenyl]ethylamino]benzoic acid?
The IUPAC name of 2-hydroxy-5-[2-[2-(trifluoromethoxy)phenyl]ethylamino]benzoic acid (CID 142683927) is 2-hydroxy-5-[2-[2-(trifluoromethoxy)phenyl]ethylamino]benzoic acid.
What is the SMILES notation for 2-hydroxy-5-[2-[2-(trifluoromethoxy)phenyl]ethylamino]benzoic acid?
The canonical SMILES for 2-hydroxy-5-[2-[2-(trifluoromethoxy)phenyl]ethylamino]benzoic acid is O=C(O)c1cc(NCCc2ccccc2OC(F)(F)F)ccc1O.
What is the InChIKey of 2-hydroxy-5-[2-[2-(trifluoromethoxy)phenyl]ethylamino]benzoic acid?
The InChIKey is YQWZGKFDYHDASJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3NO4/c17-16(18,19)24-14-4-2-1-3-10(14)7-8-20-11-5-6-13(21)12(9-11)15(22)23/h1-6,9,20-21H,7-8H2,(H,22,23).
What are the key properties of 2-hydroxy-5-[2-[2-(trifluoromethoxy)phenyl]ethylamino]benzoic acid?
2-hydroxy-5-[2-[2-(trifluoromethoxy)phenyl]ethylamino]benzoic acid has a molecular weight of 341.29 g/mol, XLogP of 3.64, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-[2-[2-(trifluoromethoxy)phenyl]ethylamino]benzoic acid is sourced from PubChem (CID 142683927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).