Chemical Components in the PDB

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W0M : Summary

Code

W0M

One-letter code

X

Molecule name

(2R)-2-(4-chlorophenoxy)propanamide

Systematic names

ProgramVersionName
ACDLabs 12.01 (2R)-2-(4-chlorophenoxy)propanamide
OpenEye OEToolkits 2.0.7 (2~{R})-2-(4-chloranylphenoxy)propanamide

Formula

C9 H10 Cl N O2

Formal charge

0

Molecular weight

199.634 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 c1cc(ccc1Cl)OC(C(=O)N)C
SMILES CACTVS 3.385 C[CH](Oc1ccc(Cl)cc1)C(N)=O
SMILES OpenEye OEToolkits 2.0.7 CC(C(=O)N)Oc1ccc(cc1)Cl
Canonical SMILES CACTVS 3.385 C[C@@H](Oc1ccc(Cl)cc1)C(N)=O
Canonical SMILES OpenEye OEToolkits 2.0.7 C[C@H](C(=O)N)Oc1ccc(cc1)Cl

IUPAC InChI

InChI=1S/C9H10ClNO2/c1-6(9(11)12)13-8-4-2-7(10)3-5-8/h2-6H,1H3,(H2,11,12)/t6-/m1/s1

IUPAC InChI key

GLBNTBLOLXXOFK-ZCFIWIBFSA-N
W0M

wwPDB Information

Atom count

23 (13 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2020-09-24

Last modified at

2020-11-06

Status

Released

Obsoleted

Not Assigned