ChemFOnt: Showing chemical card for Flufenamic acid (CFc000231860)

Record Information

Version

1.0

Creation Date

2022-08-28 10:25:12 UTC

Update Date

2022-09-14 02:00:34 UTC

Chemfont ID

CFc000231860

Molecule Identification

Common Name

Flufenamic acid

Definition

Flufenamic acid, also known as FFA or achless, belongs to the class of organic compounds known as aminobenzoic acids. These are benzoic acids containing an amine group attached to the benzene moiety. Based on a literature review a small amount of articles have been published on Flufenamic acid.

Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
2-[3-(Trifluoromethyl)anilino]benzoic acid	ChEBI
2-[[3-(TRIFLUOROMETHYL)phenyl]amino] benzoIC ACID	ChEBI
3'-Trifluoromethyldiphenylamine-2-carboxylic acid	ChEBI
Achless	ChEBI
Acide flufenamique	ChEBI
Acido flufenamico	ChEBI
Acidum flufenamicum	ChEBI
FFA	ChEBI
Flufenaminsaeure	ChEBI
Fluphenamic acid	ChEBI
N-(3-Trifluoromethylphenyl)anthranilic acid	ChEBI
N-(alpha,alpha,alpha-Trifluoro-m-tolyl)anthranilic acid	ChEBI
Arlef	Kegg
2-[3-(Trifluoromethyl)anilino]benzoate	Generator
2-[[3-(TRIFLUOROMETHYL)phenyl]amino] benzoate	Generator
3'-Trifluoromethyldiphenylamine-2-carboxylate	Generator
Fluphenamate	Generator
N-(3-Trifluoromethylphenyl)anthranilate	Generator
N-(a,a,a-Trifluoro-m-tolyl)anthranilate	Generator
N-(a,a,a-Trifluoro-m-tolyl)anthranilic acid	Generator
N-(alpha,alpha,alpha-Trifluoro-m-tolyl)anthranilate	Generator
N-(Α,α,α-trifluoro-m-tolyl)anthranilate	Generator
N-(Α,α,α-trifluoro-m-tolyl)anthranilic acid	Generator
Flufenamate	Generator
Acid, flufenamic	MeSH
Dignodolin	MeSH
sankyo Brand OF flufenamic acid	MeSH

Chemical Formula

C₁₄H₁₀F₃NO₂

Average Molecular Weight

281.2299

Monoisotopic Molecular Weight

281.066363184

IUPAC Name

2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid

Traditional Name

flufenamic acid

CAS Registry Number

530-78-9

SMILES

OC(=O)C1=CC=CC=C1NC1=CC(=CC=C1)C(F)(F)F

InChI Identifier

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)

InChI Key

LPEPZBJOKDYZAD-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as aminobenzoic acids. These are benzoic acids containing an amine group attached to the benzene moiety.

Kingdom

Organic compounds

Super Class

Benzenoids

Class

Benzene and substituted derivatives

Sub Class

Benzoic acids and derivatives

Direct Parent

Aminobenzoic acids

Alternative Parents

Substituents

Aminobenzoic acid
Trifluoromethylbenzene
Benzoic acid
Benzoyl
Aniline or substituted anilines
Vinylogous amide
Amino acid or derivatives
Amino acid
Carboxylic acid derivative
Secondary amine
Carboxylic acid
Monocarboxylic acid or derivatives
Alkyl fluoride
Organofluoride
Organohalogen compound
Organonitrogen compound
Organooxygen compound
Hydrocarbon derivative
Organic oxide
Organopnictogen compound
Organic oxygen compound
Organic nitrogen compound
Amine
Alkyl halide
Aromatic homomonocyclic compound

Molecular Framework

Aromatic homomonocyclic compounds

External Descriptors

organofluorine compound (CHEBI:42638 )
aromatic amino acid (CHEBI:42638 )

Functional Ontology

Physiological effect

Not Available

Disposition

Biological location

Non-excretory biofluid

Biofluid or Excreta

Blood (PMID: 31557052)

Source

Exogenous

Exogenous (HMDB: HMDB0252331)

Process

Not Available

Role

Not Available

Physical Properties

Predicted Properties

Property	Value	Source
Water Solubility	0.008 g/L	ALOGPS
logP	4.6	ALOGPS
logP	5.25	ChemAxon
logS	-4.6	ALOGPS
pKa (Strongest Acidic)	3.88	ChemAxon
pKa (Strongest Basic)	-2.1	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	3	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	49.33 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	67.77 m³·mol⁻¹	ChemAxon
Polarizability	24.67 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon