Chemical Components in the PDB

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W0H : Summary

Code

W0H

One-letter code

X

Molecule name

2-(4-fluorophenoxy)-N-(2-methoxyethyl)acetamide

Systematic names

ProgramVersionName
ACDLabs 12.01 2-(4-fluorophenoxy)-N-(2-methoxyethyl)acetamide
OpenEye OEToolkits 2.0.7 2-(4-fluoranylphenoxy)-~{N}-(2-methoxyethyl)ethanamide

Formula

C11 H14 F N O3

Formal charge

0

Molecular weight

227.232 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 COCCNC(=O)COc1ccc(F)cc1
SMILES CACTVS 3.385 COCCNC(=O)COc1ccc(F)cc1
SMILES OpenEye OEToolkits 2.0.7 COCCNC(=O)COc1ccc(cc1)F
Canonical SMILES CACTVS 3.385 COCCNC(=O)COc1ccc(F)cc1
Canonical SMILES OpenEye OEToolkits 2.0.7 COCCNC(=O)COc1ccc(cc1)F

IUPAC InChI

InChI=1S/C11H14FNO3/c1-15-7-6-13-11(14)8-16-10-4-2-9(12)3-5-10/h2-5H,6-8H2,1H3,(H,13,14)

IUPAC InChI key

KQIHDBIHUIVIAI-UHFFFAOYSA-N
W0H

wwPDB Information

Atom count

30 (16 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2022-09-02

Last modified at

2022-10-28

Status

Released

Obsoleted

Not Assigned