Chemical Components in the PDB

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Z4X : Summary

Code

Z4X

One-letter code

X

Molecule name

2-ethoxy-3-fluoro-N,N-dimethylbenzamide

Systematic names

ProgramVersionName
ACDLabs 12.01 2-ethoxy-3-fluoro-N,N-dimethylbenzamide
OpenEye OEToolkits 2.0.7 2-ethoxy-3-fluoranyl-~{N},~{N}-dimethyl-benzamide

Formula

C11 H14 F N O2

Formal charge

0

Molecular weight

211.233 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 CCOc1c(cccc1F)C(=O)N(C)C
SMILES CACTVS 3.385 CCOc1c(F)cccc1C(=O)N(C)C
SMILES OpenEye OEToolkits 2.0.7 CCOc1c(cccc1F)C(=O)N(C)C
Canonical SMILES CACTVS 3.385 CCOc1c(F)cccc1C(=O)N(C)C
Canonical SMILES OpenEye OEToolkits 2.0.7 CCOc1c(cccc1F)C(=O)N(C)C

IUPAC InChI

InChI=1S/C11H14FNO2/c1-4-15-10-8(11(14)13(2)3)6-5-7-9(10)12/h5-7H,4H2,1-3H3

IUPAC InChI key

BFFKGZZBXHSQPZ-UHFFFAOYSA-N
Z4X

wwPDB Information

Atom count

29 (15 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2023-06-22

Last modified at

2023-07-07

Status

Released

Obsoleted

Not Assigned