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CID 47461271

PubChem CID
47461271
Structure
CID 47461271_small.png
Molecular Formula
Status
Non-live
Molecular Weight
298.2 g/mol
Dates
  • Create:
    2010-11-26

1 Structures

1.1 2D Structure

Chemical Structure Depiction
CID 47461271.png

2 Names and Identifiers

2.1 Computed Descriptors

2.1.1 IUPAC Name

N-[1-(3,4-dichlorophenyl)cyclopropyl]cyclopentanecarboxamide

2.1.2 InChI

InChI=1S/C15H17Cl2NO/c16-12-6-5-11(9-13(12)17)15(7-8-15)18-14(19)10-3-1-2-4-10/h5-6,9-10H,1-4,7-8H2,(H,18,19)

2.1.3 InChIKey

CWHCYDVWUQYDKG-UHFFFAOYSA-N

2.1.4 SMILES

C1CCC(C1)C(=O)NC2(CC2)C3=CC(=C(C=C3)Cl)Cl

2.2 Molecular Formula

C15H17Cl2NO

3 Chemical and Physical Properties

3.1 Computed Properties

Property Name
Molecular Weight
Property Value
298.2 g/mol
Property Name
XLogP3-AA
Property Value
4.2
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
1
Property Name
Rotatable Bond Count
Property Value
3
Property Name
Exact Mass
Property Value
297.0687196 g/mol
Property Name
Monoisotopic Mass
Property Value
297.0687196 g/mol
Property Name
Topological Polar Surface Area
Property Value
29.1 A^2
Property Name
Heavy Atom Count
Property Value
19
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
350
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