Chemical Components in the PDB

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H1Y : Summary

Code

H1Y

One-letter code

X

Molecule name

N-(3-chlorophenyl)-2-phenylacetamide

Systematic names

ProgramVersionName
ACDLabs 12.01 N-(3-chlorophenyl)-2-phenylacetamide
OpenEye OEToolkits 2.0.6 ~{N}-(3-chlorophenyl)-2-phenyl-ethanamide

Formula

C14 H12 Cl N O

Formal charge

0

Molecular weight

245.704 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 N(C(Cc1ccccc1)=O)c2cccc(c2)Cl
SMILES CACTVS 3.385 Clc1cccc(NC(=O)Cc2ccccc2)c1
SMILES OpenEye OEToolkits 2.0.6 c1ccc(cc1)CC(=O)Nc2cccc(c2)Cl
Canonical SMILES CACTVS 3.385 Clc1cccc(NC(=O)Cc2ccccc2)c1
Canonical SMILES OpenEye OEToolkits 2.0.6 c1ccc(cc1)CC(=O)Nc2cccc(c2)Cl

IUPAC InChI

InChI=1S/C14H12ClNO/c15-12-7-4-8-13(10-12)16-14(17)9-11-5-2-1-3-6-11/h1-8,10H,9H2,(H,16,17)

IUPAC InChI key

GAWITMMQHFGOMV-UHFFFAOYSA-N
H1Y

wwPDB Information

Atom count

29 (17 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2018-06-11

Last modified at

2019-03-22

Status

Released

Obsoleted

Not Assigned