Chemical Components in the PDB

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ZIM : Summary

Code

ZIM

One-letter code

X

Molecule name

N-(2-chlorophenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide

Systematic names

ProgramVersionName
ACDLabs 12.01 N-(2-chlorophenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide
OpenEye OEToolkits 2.0.7 ~{N}-(2-chlorophenyl)-4-(furan-2-ylcarbonyl)piperazine-1-carboxamide

Formula

C16 H16 Cl N3 O3

Formal charge

0

Molecular weight

333.77 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(N1CCN(CC1)C(=O)Nc1ccccc1Cl)c1ccco1
SMILES CACTVS 3.385 Clc1ccccc1NC(=O)N2CCN(CC2)C(=O)c3occc3
SMILES OpenEye OEToolkits 2.0.7 c1ccc(c(c1)NC(=O)N2CCN(CC2)C(=O)c3ccco3)Cl
Canonical SMILES CACTVS 3.385 Clc1ccccc1NC(=O)N2CCN(CC2)C(=O)c3occc3
Canonical SMILES OpenEye OEToolkits 2.0.7 c1ccc(c(c1)NC(=O)N2CCN(CC2)C(=O)c3ccco3)Cl

IUPAC InChI

InChI=1S/C16H16ClN3O3/c17-12-4-1-2-5-13(12)18-16(22)20-9-7-19(8-10-20)15(21)14-6-3-11-23-14/h1-6,11H,7-10H2,(H,18,22)

IUPAC InChI key

WXIMHLJBEWNBSA-UHFFFAOYSA-N
ZIM

wwPDB Information

Atom count

39 (23 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2023-03-13

Last modified at

2023-03-24

Status

Released

Obsoleted

Not Assigned