Chemical Components in the PDB

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TLF : Summary

Code

TLF

One-letter code

X

Molecule name

2-[(3-chloro-2-methylphenyl)amino]benzoic acid

Synonyms

Tolfenamic acid

Systematic names

ProgramVersionName
ACDLabs 12.01 2-[(3-chloro-2-methylphenyl)amino]benzoic acid
OpenEye OEToolkits 1.7.6 2-[(3-chloranyl-2-methyl-phenyl)amino]benzoic acid

Formula

C14 H12 Cl N O2

Formal charge

0

Molecular weight

261.704 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 Clc2cccc(Nc1ccccc1C(=O)O)c2C
SMILES CACTVS 3.370 Cc1c(Cl)cccc1Nc2ccccc2C(O)=O
SMILES OpenEye OEToolkits 1.7.6 Cc1c(cccc1Cl)Nc2ccccc2C(=O)O
Canonical SMILES CACTVS 3.370 Cc1c(Cl)cccc1Nc2ccccc2C(O)=O
Canonical SMILES OpenEye OEToolkits 1.7.6 Cc1c(cccc1Cl)Nc2ccccc2C(=O)O

IUPAC InChI

InChI=1S/C14H12ClNO2/c1-9-11(15)6-4-8-12(9)16-13-7-3-2-5-10(13)14(17)18/h2-8,16H,1H3,(H,17,18)

IUPAC InChI key

YEZNLOUZAIOMLT-UHFFFAOYSA-N
TLF

wwPDB Information

Atom count

30 (18 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2012-08-16

Last modified at

2021-03-01

Status

Released

Obsoleted

Not Assigned