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8NB : Summary

Code

8NB

One-letter code

X

Molecule name

~{N}-(3-chloranyl-4-methoxy-phenyl)ethanamide

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 ~{N}-(3-chloranyl-4-methoxy-phenyl)ethanamide

Formula

C9 H10 Cl N O2

Formal charge

0

Molecular weight

199.634 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 COc1ccc(NC(C)=O)cc1Cl
SMILES OpenEye OEToolkits 2.0.6 CC(=O)Nc1ccc(c(c1)Cl)OC
Canonical SMILES CACTVS 3.385 COc1ccc(NC(C)=O)cc1Cl
Canonical SMILES OpenEye OEToolkits 2.0.6 CC(=O)Nc1ccc(c(c1)Cl)OC

IUPAC InChI

InChI=1S/C9H10ClNO2/c1-6(12)11-7-3-4-9(13-2)8(10)5-7/h3-5H,1-2H3,(H,11,12)

IUPAC InChI key

WNOVNNUWOUKIOL-UHFFFAOYSA-N
8NB

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

2017-02-13

Last modified at

2024-09-27

Status

Released

Obsoleted

Not Assigned