Chemical Components in the PDB

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H2M : Summary

Code

H2M

One-letter code

X

Molecule name

1-[3'-(trifluoromethyl)[1,1'-biphenyl]-2-yl]-1,3-dihydro-2H-pyrrol-2-one

Systematic names

ProgramVersionName
ACDLabs 12.01 1-[3'-(trifluoromethyl)[1,1'-biphenyl]-2-yl]-1,3-dihydro-2H-pyrrol-2-one
OpenEye OEToolkits 2.0.6 1-[2-[3-(trifluoromethyl)phenyl]phenyl]-3~{H}-pyrrol-2-one

Formula

C17 H12 F3 N O

Formal charge

0

Molecular weight

303.278 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 c2(N1C(=O)CC=C1)ccccc2c3cccc(c3)C(F)(F)F
SMILES CACTVS 3.385 FC(F)(F)c1cccc(c1)c2ccccc2N3C=CCC3=O
SMILES OpenEye OEToolkits 2.0.6 c1ccc(c(c1)c2cccc(c2)C(F)(F)F)N3C=CCC3=O
Canonical SMILES CACTVS 3.385 FC(F)(F)c1cccc(c1)c2ccccc2N3C=CCC3=O
Canonical SMILES OpenEye OEToolkits 2.0.6 c1ccc(c(c1)c2cccc(c2)C(F)(F)F)N3C=CCC3=O

IUPAC InChI

InChI=1S/C17H12F3NO/c18-17(19,20)13-6-3-5-12(11-13)14-7-1-2-8-15(14)21-10-4-9-16(21)22/h1-8,10-11H,9H2

IUPAC InChI key

AIIYIYPODZMVSU-UHFFFAOYSA-N
H2M

wwPDB Information

Atom count

34 (22 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