Chemical Components in the PDB

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2UR : Summary

Code

2UR

One-letter code

X

Molecule name

(2R)-5-fluoro-2-methyl-2,3-dihydro-1-benzofuran-7-carboxamide

Systematic names

ProgramVersionName
ACDLabs 12.01 (2R)-5-fluoro-2-methyl-2,3-dihydro-1-benzofuran-7-carboxamide
OpenEye OEToolkits 1.7.6 (2R)-5-fluoranyl-2-methyl-2,3-dihydro-1-benzofuran-7-carboxamide

Formula

C10 H10 F N O2

Formal charge

0

Molecular weight

195.19 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 Fc2cc1c(OC(C1)C)c(c2)C(=O)N
SMILES CACTVS 3.385 C[CH]1Cc2cc(F)cc(C(N)=O)c2O1
SMILES OpenEye OEToolkits 1.7.6 CC1Cc2cc(cc(c2O1)C(=O)N)F
Canonical SMILES CACTVS 3.385 C[C@@H]1Cc2cc(F)cc(C(N)=O)c2O1
Canonical SMILES OpenEye OEToolkits 1.7.6 C[C@@H]1Cc2cc(cc(c2O1)C(=O)N)F

IUPAC InChI

InChI=1S/C10H10FNO2/c1-5-2-6-3-7(11)4-8(10(12)13)9(6)14-5/h3-5H,2H2,1H3,(H2,12,13)/t5-/m1/s1

IUPAC InChI key

ZPHKBVTUIABAIO-RXMQYKEDSA-N
2UR

wwPDB Information

Atom count

24 (14 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2014-02-12

Last modified at

2014-06-27

Status

Released

Obsoleted

Not Assigned