Chemical Components in the PDB

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OM8 : Summary

Code

OM8

One-letter code

X

Molecule name

3-[(3-chlorophenyl)methoxy]-2,6-bis(fluoranyl)benzamide

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 3-[(3-chlorophenyl)methoxy]-2,6-bis(fluoranyl)benzamide

Formula

C14 H10 Cl F2 N O2

Formal charge

0

Molecular weight

297.685 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 NC(=O)c1c(F)ccc(OCc2cccc(Cl)c2)c1F
SMILES OpenEye OEToolkits 2.0.7 c1cc(cc(c1)Cl)COc2ccc(c(c2F)C(=O)N)F
Canonical SMILES CACTVS 3.385 NC(=O)c1c(F)ccc(OCc2cccc(Cl)c2)c1F
Canonical SMILES OpenEye OEToolkits 2.0.7 c1cc(cc(c1)Cl)COc2ccc(c(c2F)C(=O)N)F

IUPAC InChI

InChI=1S/C14H10ClF2NO2/c15-9-3-1-2-8(6-9)7-20-11-5-4-10(16)12(13(11)17)14(18)19/h1-6H,7H2,(H2,18,19)

IUPAC InChI key

QPJFTLSXPCJEKL-UHFFFAOYSA-N
OM8

wwPDB Information

Atom count

30 (20 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2020-03-20

Last modified at

2021-07-23

Status

Released

Obsoleted

Not Assigned