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CID 47314111

PubChem CID
47314111
Structure
CID 47314111_small.png
Molecular Formula
Status
Non-live
Molecular Weight
266.72 g/mol
Dates
  • Create:
    2010-11-26

1 Structures

1.1 2D Structure

Chemical Structure Depiction
CID 47314111.png

2 Names and Identifiers

2.1 Computed Descriptors

2.1.1 IUPAC Name

N-(5-acetamido-2-chlorophenyl)-2-methylcyclopropane-1-carboxamide

2.1.2 InChI

InChI=1S/C13H15ClN2O2/c1-7-5-10(7)13(18)16-12-6-9(15-8(2)17)3-4-11(12)14/h3-4,6-7,10H,5H2,1-2H3,(H,15,17)(H,16,18)

2.1.3 InChIKey

CKEUATLCHREYLN-UHFFFAOYSA-N

2.1.4 SMILES

CC1CC1C(=O)NC2=C(C=CC(=C2)NC(=O)C)Cl

2.2 Molecular Formula

C13H15ClN2O2

3 Chemical and Physical Properties

3.1 Computed Properties

Property Name
Molecular Weight
Property Value
266.72 g/mol
Property Name
XLogP3
Property Value
1.6
Property Name
Hydrogen Bond Donor Count
Property Value
2
Property Name
Hydrogen Bond Acceptor Count
Property Value
2
Property Name
Rotatable Bond Count
Property Value
3
Property Name
Exact Mass
Property Value
266.0822054 g/mol
Property Name
Monoisotopic Mass
Property Value
266.0822054 g/mol
Property Name
Topological Polar Surface Area
Property Value
58.2 A^2
Property Name
Heavy Atom Count
Property Value
18
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
348
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
2
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