Chemical Components in the PDB

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FTN : Summary

Code

FTN

One-letter code

X

Molecule name

N-[3-(1-methylethoxy)phenyl]-2-(trifluoromethyl)benzamide

Synonyms

flutolanil
N-(3-Isopropoxy-phenyl)-2-trifluoromethylbenzamide

Systematic names

ProgramVersionName
OpenEye OEToolkits 1.6.1 N-(3-propan-2-yloxyphenyl)-2-(trifluoromethyl)benzamide

Formula

C17 H16 F3 N O2

Formal charge

0

Molecular weight

323.31 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.352 CC(C)Oc1cccc(NC(=O)c2ccccc2C(F)(F)F)c1
SMILES OpenEye OEToolkits 1.7.0 CC(C)Oc1cccc(c1)NC(=O)c2ccccc2C(F)(F)F
Canonical SMILES CACTVS 3.352 CC(C)Oc1cccc(NC(=O)c2ccccc2C(F)(F)F)c1
Canonical SMILES OpenEye OEToolkits 1.7.0 CC(C)Oc1cccc(c1)NC(=O)c2ccccc2C(F)(F)F

IUPAC InChI

InChI=1S/C17H16F3NO2/c1-11(2)23-13-7-5-6-12(10-13)21-16(22)14-8-3-4-9-15(14)17(18,19)20/h3-11H,1-2H3,(H,21,22)

IUPAC InChI key

PTCGDEVVHUXTMP-UHFFFAOYSA-N
FTN

wwPDB Information

Atom count

39 (23 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2010-02-19

Last modified at

2021-03-13

Status

Released

Obsoleted

Not Assigned