Chemical Components in the PDB

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7IY : Summary

Code

7IY

One-letter code

X

Molecule name

~{N}-(3-azanyl-4-chloranyl-phenyl)-2-methoxy-ethanamide

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 ~{N}-(3-azanyl-4-chloranyl-phenyl)-2-methoxy-ethanamide

Formula

C9 H11 Cl N2 O2

Formal charge

0

Molecular weight

214.649 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 COCC(=O)Nc1ccc(Cl)c(N)c1
SMILES OpenEye OEToolkits 2.0.7 COCC(=O)Nc1ccc(c(c1)N)Cl
Canonical SMILES CACTVS 3.385 COCC(=O)Nc1ccc(Cl)c(N)c1
Canonical SMILES OpenEye OEToolkits 2.0.7 COCC(=O)Nc1ccc(c(c1)N)Cl

IUPAC InChI

InChI=1S/C9H11ClN2O2/c1-14-5-9(13)12-6-2-3-7(10)8(11)4-6/h2-4H,5,11H2,1H3,(H,12,13)

IUPAC InChI key

NBKYWFKVWBQTFN-UHFFFAOYSA-N
7IY

wwPDB Information

Atom count

25 (14 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2021-10-07

Last modified at

2022-09-30

Status

Released

Obsoleted

Not Assigned