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CID 39366837

PubChem CID
39366837
Structure
CID 39366837_small.png
Molecular Formula
Status
Non-live
Molecular Weight
267.75 g/mol
Dates
  • Create:
    2009-05-29

1 Structures

1.1 2D Structure

Chemical Structure Depiction
CID 39366837.png

2 Names and Identifiers

2.1 Computed Descriptors

2.1.1 IUPAC Name

(2S)-2-chloro-N-(3-cyclopentyloxyphenyl)propanamide

2.1.2 InChI

InChI=1S/C14H18ClNO2/c1-10(15)14(17)16-11-5-4-8-13(9-11)18-12-6-2-3-7-12/h4-5,8-10,12H,2-3,6-7H2,1H3,(H,16,17)/t10-/m0/s1

2.1.3 InChIKey

FLPSPQXXZBESRW-JTQLQIEISA-N

2.1.4 SMILES

C[C@@H](C(=O)NC1=CC(=CC=C1)OC2CCCC2)Cl

2.2 Molecular Formula

C14H18ClNO2

3 Chemical and Physical Properties

3.1 Computed Properties

Property Name
Molecular Weight
Property Value
267.75 g/mol
Property Name
XLogP3-AA
Property Value
3.4
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
2
Property Name
Rotatable Bond Count
Property Value
4
Property Name
Exact Mass
Property Value
267.1026065 g/mol
Property Name
Monoisotopic Mass
Property Value
267.1026065 g/mol
Property Name
Topological Polar Surface Area
Property Value
38.3 A^2
Property Name
Heavy Atom Count
Property Value
18
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
279
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
1
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