2-[3-(trifluoromethyl)anilino]benzoic acid

C14H10F3NO2 — CID 3371

💊View drug profile → flufenamic acid
IUPAC2-[3-(trifluoromethyl)anilino]benzoic acid
SMILESO=C(O)c1ccccc1Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H10F3NO2/c15-14(16,17)9-4-3-5-10(8-9)18-12-7-2-1-6-11(12)13(19)20/h1-8,18H,(H,19,20)
InChIKeyLPEPZBJOKDYZAD-UHFFFAOYSA-N
MW281.23 g/mol
LogP4.15
Rot. Bonds3

About 2-[3-(trifluoromethyl)anilino]benzoic acid

2-[3-(trifluoromethyl)anilino]benzoic acid (PubChem CID 3371) has the molecular formula C14H10F3NO2 and a molecular weight of 281.23 g/mol. Its IUPAC name is 2-[3-(trifluoromethyl)anilino]benzoic acid.

Molecular Properties

Compound Name2-[3-(trifluoromethyl)anilino]benzoic acid
PubChem CID3371
Molecular FormulaC14H10F3NO2
Molecular Weight281.23 g/mol
Exact Mass281.07
IUPAC Name2-[3-(trifluoromethyl)anilino]benzoic acid
SMILESO=C(O)c1ccccc1Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H10F3NO2/c15-14(16,17)9-4-3-5-10(8-9)18-12-7-2-1-6-11(12)13(19)20/h1-8,18H,(H,19,20)
InChIKeyLPEPZBJOKDYZAD-UHFFFAOYSA-N
XLogP4.15
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.23
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Mefenamic Acid
CID 4044
Etofenamate
CID 35375
Tolfenamic Acid
CID 610479
N-Phenylanthranilic Acid
CID 4386
Enfenamic Acid
CID 31635
N-acetylanthranilic acid
CID 6971
N-(2-carboxyphenyl)glycine
CID 69161
2-((4-(Dimethylamino)phenyl)diazenyl)benzoic acid
CID 10303
2-(Benzoylamino)benzoic acid
CID 68482
N-Benzoylanthranilate
CID 5091716
Ufenamate
CID 5632
Diphenylamine-2,2'-dicarboxylic acid
CID 11371

Frequently Asked Questions

What is the IUPAC name of 2-[3-(trifluoromethyl)anilino]benzoic acid?
The IUPAC name of 2-[3-(trifluoromethyl)anilino]benzoic acid (CID 3371) is 2-[3-(trifluoromethyl)anilino]benzoic acid.
What is the SMILES notation for 2-[3-(trifluoromethyl)anilino]benzoic acid?
The canonical SMILES for 2-[3-(trifluoromethyl)anilino]benzoic acid is O=C(O)c1ccccc1Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[3-(trifluoromethyl)anilino]benzoic acid?
The InChIKey is LPEPZBJOKDYZAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3NO2/c15-14(16,17)9-4-3-5-10(8-9)18-12-7-2-1-6-11(12)13(19)20/h1-8,18H,(H,19,20).
What are the key properties of 2-[3-(trifluoromethyl)anilino]benzoic acid?
2-[3-(trifluoromethyl)anilino]benzoic acid has a molecular weight of 281.23 g/mol, XLogP of 4.15, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(trifluoromethyl)anilino]benzoic acid is sourced from PubChem (CID 3371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).