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CID 39376889

PubChem CID
39376889
Structure
CID 39376889_small.png
Molecular Formula
Status
Non-live
Molecular Weight
277.74 g/mol
Dates
  • Create:
    2009-05-29

1 Structures

1.1 2D Structure

Chemical Structure Depiction
CID 39376889.png

2 Names and Identifiers

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-chloro-N-(furan-2-ylmethyl)-N-[(1S)-1-phenylethyl]acetamide

2.1.2 InChI

InChI=1S/C15H16ClNO2/c1-12(13-6-3-2-4-7-13)17(15(18)10-16)11-14-8-5-9-19-14/h2-9,12H,10-11H2,1H3/t12-/m0/s1

2.1.3 InChIKey

QGFACCXVEWORFZ-LBPRGKRZSA-N

2.1.4 SMILES

C[C@@H](C1=CC=CC=C1)N(CC2=CC=CO2)C(=O)CCl

2.2 Molecular Formula

C15H16ClNO2

3 Chemical and Physical Properties

3.1 Computed Properties

Property Name
Molecular Weight
Property Value
277.74 g/mol
Property Name
XLogP3-AA
Property Value
2.8
Property Name
Hydrogen Bond Donor Count
Property Value
0
Property Name
Hydrogen Bond Acceptor Count
Property Value
2
Property Name
Rotatable Bond Count
Property Value
5
Property Name
Exact Mass
Property Value
277.0869564 g/mol
Property Name
Monoisotopic Mass
Property Value
277.0869564 g/mol
Property Name
Topological Polar Surface Area
Property Value
33.5 A^2
Property Name
Heavy Atom Count
Property Value
19
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
292
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