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HR8 : Summary

Code

HR8

One-letter code

X

Molecule name

5-chloranyl-2-methoxy-~{N}-(2-methylpropyl)benzamide

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 5-chloranyl-2-methoxy-~{N}-(2-methylpropyl)benzamide

Formula

C12 H16 Cl N O2

Formal charge

0

Molecular weight

241.714 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 COc1ccc(Cl)cc1C(=O)NCC(C)C
SMILES OpenEye OEToolkits 2.0.6 CC(C)CNC(=O)c1cc(ccc1OC)Cl
Canonical SMILES CACTVS 3.385 COc1ccc(Cl)cc1C(=O)NCC(C)C
Canonical SMILES OpenEye OEToolkits 2.0.6 CC(C)CNC(=O)c1cc(ccc1OC)Cl

IUPAC InChI

InChI=1S/C12H16ClNO2/c1-8(2)7-14-12(15)10-6-9(13)4-5-11(10)16-3/h4-6,8H,7H2,1-3H3,(H,14,15)

IUPAC InChI key

GSFUSGKNYXRUQM-UHFFFAOYSA-N
HR8

wwPDB Information

Atom count

32 (16 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2018-12-17

Last modified at

2019-01-18

Status

Released

Obsoleted

Not Assigned