Chemical Components in the PDB

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FLF : Summary

Code

FLF

One-letter code

X

Molecule name

2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID

Synonyms

FLUFENAMIC ACID

Systematic names

ProgramVersionName
ACDLabs 10.04 2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid
OpenEye OEToolkits 1.5.0 2-[[3-(trifluoromethyl)phenyl]amino]benzoic acid

Formula

C14 H10 F3 N O2

Formal charge

0

Molecular weight

281.23 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 FC(F)(F)c1cc(ccc1)Nc2ccccc2C(=O)O
SMILES CACTVS 3.341 OC(=O)c1ccccc1Nc2cccc(c2)C(F)(F)F
SMILES OpenEye OEToolkits 1.5.0 c1ccc(c(c1)C(=O)O)Nc2cccc(c2)C(F)(F)F
Canonical SMILES CACTVS 3.341 OC(=O)c1ccccc1Nc2cccc(c2)C(F)(F)F
Canonical SMILES OpenEye OEToolkits 1.5.0 c1ccc(c(c1)C(=O)O)Nc2cccc(c2)C(F)(F)F

IUPAC InChI

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)

IUPAC InChI key

LPEPZBJOKDYZAD-UHFFFAOYSA-N
FLF

wwPDB Information

Atom count

30 (20 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

1999-07-08

Last modified at

2020-06-17

Status

Released

Obsoleted

Not Assigned