An official website of the United States government

CID 47336628

PubChem CID
47336628
Structure
CID 47336628_small.png
Molecular Formula
Status
Non-live
Molecular Weight
292.72 g/mol
Dates
  • Create:
    2010-11-26

1 Structures

1.1 2D Structure

Chemical Structure Depiction
CID 47336628.png

2 Names and Identifiers

2.1 Computed Descriptors

2.1.1 IUPAC Name

N-(3-chlorophenyl)-N'-(furan-2-ylmethyl)-N'-methyloxamide

2.1.2 InChI

InChI=1S/C14H13ClN2O3/c1-17(9-12-6-3-7-20-12)14(19)13(18)16-11-5-2-4-10(15)8-11/h2-8H,9H2,1H3,(H,16,18)

2.1.3 InChIKey

YKMDRBIKEKODBX-UHFFFAOYSA-N

2.1.4 SMILES

CN(CC1=CC=CO1)C(=O)C(=O)NC2=CC(=CC=C2)Cl

2.2 Molecular Formula

C14H13ClN2O3

3 Chemical and Physical Properties

3.1 Computed Properties

Property Name
Molecular Weight
Property Value
292.72 g/mol
Property Name
XLogP3-AA
Property Value
2.2
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
3
Property Name
Rotatable Bond Count
Property Value
3
Property Name
Exact Mass
Property Value
292.0614700 g/mol
Property Name
Monoisotopic Mass
Property Value
292.0614700 g/mol
Property Name
Topological Polar Surface Area
Property Value
62.6 A^2
Property Name
Heavy Atom Count
Property Value
20
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
364
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
0
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Property Name
Defined Bond Stereocenter Count
Property Value
0
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Property Name
Covalently-Bonded Unit Count
Property Value
1
Property Name
Compound Is Canonicalized
Property Value
Yes

5 Information Sources

CONTENTS