Structure Database (LMSD)

O I Cl NH 2
Common Name
2-chloro-2-iodoacetamide
Systematic Name
2-chloro-2-iodoacetamide
Synonyms
LM ID
LMFA01090147
Formula
C2H3ClINO
Exact Mass
Calculate m/z
218.894794
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Halogenated fatty acids [FA0109]
Amino fatty acids [FA0110]

String Representations

InChiKey (Click to copy)
UWWIMPAKBITDPS-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C2H3ClINO/c3-1(4)2(5)6/h1H,(H2,5,6)
SMILES (Click to copy)
C(C(I)Cl)(=O)N

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Asparagopsis taxiformis (#260499)
Florideophyceae (#2806)
Natural halogenated fatty acids: their analogues and derivatives.,
Prog Lipid Res, 2002
Pubmed ID: 11958814

Other Databases

CHEBI ID
186842
PubChem CID
21775920

Calculated Physicochemical Properties

Heavy Atoms 6
Rings 0
Aromatic Rings 0
Rotatable Bonds 1
Van der Waals Molecular Volume 100.80
Topological Polar Surface Area 43.09
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 0.76
Molar Refractivity 33.37

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Updated at
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