Chemical Components in the PDB

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0Q6 : Summary

Code

0Q6

One-letter code

X

Molecule name

4-[(3-bromophenyl)methoxy]benzamide

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 4-[(3-bromophenyl)methoxy]benzamide

Formula

C14 H12 Br N O2

Formal charge

0

Molecular weight

306.155 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 NC(=O)c1ccc(OCc2cccc(Br)c2)cc1
SMILES OpenEye OEToolkits 2.0.7 c1cc(cc(c1)Br)COc2ccc(cc2)C(=O)N
Canonical SMILES CACTVS 3.385 NC(=O)c1ccc(OCc2cccc(Br)c2)cc1
Canonical SMILES OpenEye OEToolkits 2.0.7 c1cc(cc(c1)Br)COc2ccc(cc2)C(=O)N

IUPAC InChI

InChI=1S/C14H12BrNO2/c15-12-3-1-2-10(8-12)9-18-13-6-4-11(5-7-13)14(16)17/h1-8H,9H2,(H2,16,17)

IUPAC InChI key

WNYIDDKTEYNPSM-UHFFFAOYSA-N
0Q6

wwPDB Information

Atom count

30 (18 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2021-06-09

Last modified at

2021-12-03

Status

Released

Obsoleted

Not Assigned