Chemical Components in the PDB

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7IV : Summary

Code

7IV

One-letter code

X

Molecule name

~{N}-(4-chlorophenyl)-2-phenylmethoxy-ethanamide

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 ~{N}-(4-chlorophenyl)-2-phenylmethoxy-ethanamide

Formula

C15 H14 Cl N O2

Formal charge

0

Molecular weight

275.73 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 Clc1ccc(NC(=O)COCc2ccccc2)cc1
SMILES OpenEye OEToolkits 2.0.7 c1ccc(cc1)COCC(=O)Nc2ccc(cc2)Cl
Canonical SMILES CACTVS 3.385 Clc1ccc(NC(=O)COCc2ccccc2)cc1
Canonical SMILES OpenEye OEToolkits 2.0.7 c1ccc(cc1)COCC(=O)Nc2ccc(cc2)Cl

IUPAC InChI

InChI=1S/C15H14ClNO2/c16-13-6-8-14(9-7-13)17-15(18)11-19-10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,17,18)

IUPAC InChI key

CELZHXIAORJPBI-UHFFFAOYSA-N
7IV

wwPDB Information

Atom count

33 (19 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