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4-chloro-N-cyclopropyl-3-iodoBenzamide

HCID 39717596
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
O=C(NC1CC1)c1ccc(Cl)c(I)c1
InChIKey
OUTQPCGRZMGGSF-UHFFFAOYSA-N
Molecular formula
C10H9ClINO
Average molar mass
321.54 g/mol

Names & identifiers

Preferred name
4-chloro-N-cyclopropyl-3-iodoBenzamide
IUPAC
4-chloro-N-cyclopropyl-3-iodobenzamide

Names & synonyms

4-chloro-N-cyclopropyl-3-iodoBenzamide882679-31-4SCHEMBL2946787OUTQPCGRZMGGSF-UHFFFAOYSA-NDA-01635F53406A1-94939

Database identifiers

PubChem CID
39717596

Properties

Computed structural properties

XLogP
3
Topological polar surface area
29.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
2
Heavy atoms
14
Formal charge
0
Complexity
232

Related reactions

3 records
New reaction record
HRID 321562 reaction equation
HRID 321562As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 2357591 reaction equation
HRID 2357591As reactantuspto-grants-2010_07
HRID 2357592 reaction equation
HRID 2357592As productuspto-grants-2010_07

Compound notes

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