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3-(chloromethyl)-N-(3,3-difluorocyclobutyl)benzamide

HCID 66878352
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
O=C(NC1CC(F)(F)C1)c1cccc(CCl)c1
InChIKey
KVEYUENVUSLHMV-UHFFFAOYSA-N
Molecular formula
C12H12ClF2NO
Average molar mass
259.68 g/mol
Monoisotopic mass
259.057548

Names & identifiers

Preferred name
3-(chloromethyl)-N-(3,3-difluorocyclobutyl)benzamide
IUPAC
3-(chloromethyl)-N-(3,3-difluorocyclobutyl)benzamide

Names & synonyms

3-(chloromethyl)-N-(3,3-difluorocyclobutyl)benzamideSCHEMBL1019474

Database identifiers

PubChem CID
66878352

Properties

Computed structural properties

XLogP
2.8
Topological polar surface area
29.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
17
Formal charge
0
Complexity
290

Related reactions

4 records
New reaction record
HRID 92489 reaction equation
HRID 92489As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 1552871 reaction equation
HRID 1552871As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)
HRID 1878432 reaction equation
HRID 1878432As productuspto-grants-2012_11
HRID 1878433 reaction equation
HRID 1878433As reactantuspto-grants-2012_11

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes