Chemical Components in the PDB

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2HO : Summary

Code

2HO

One-letter code

X

Molecule name

3,4-difluorobenzamide

Systematic names

ProgramVersionName
ACDLabs 12.01 3,4-difluorobenzamide
OpenEye OEToolkits 1.7.6 3,4-bis(fluoranyl)benzamide

Formula

C7 H5 F2 N O

Formal charge

0

Molecular weight

157.118 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 Fc1ccc(C(=O)N)cc1F
SMILES CACTVS 3.385 NC(=O)c1ccc(F)c(F)c1
SMILES OpenEye OEToolkits 1.7.6 c1cc(c(cc1C(=O)N)F)F
Canonical SMILES CACTVS 3.385 NC(=O)c1ccc(F)c(F)c1
Canonical SMILES OpenEye OEToolkits 1.7.6 c1cc(c(cc1C(=O)N)F)F

IUPAC InChI

InChI=1S/C7H5F2NO/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H,(H2,10,11)

IUPAC InChI key

CMWOHNIHUBDEAG-UHFFFAOYSA-N
2HO

wwPDB Information

Atom count

16 (11 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2013-10-22

Last modified at

2013-11-01

Status

Released

Obsoleted

Not Assigned