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3,5-Dichloro-4-(3-(4-trifluoromethylbenzamido)propyloxy)phenol

HCID 23218369
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
O=C(NCCCOc1c(Cl)cc(O)cc1Cl)c1ccc(C(F)(F)F)cc1
InChIKey
IMTZHCMFJSOOJQ-UHFFFAOYSA-N
Molecular formula
C17H14Cl2F3NO3
Average molar mass
408.2 g/mol

Names & identifiers

Preferred name
3,5-Dichloro-4-(3-(4-trifluoromethylbenzamido)propyloxy)phenol
IUPAC
N-[3-(2,6-dichloro-4-hydroxyphenoxy)propyl]-4-(trifluoromethyl)benzamide

Names & synonyms

3,5-dichloro-4-(3-(4-trifluoromethylbenzamido)propyloxy)phenolSCHEMBL7975739

Database identifiers

PubChem CID
23218369

Properties

Computed structural properties

XLogP
5
Topological polar surface area
58.6 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
6
Heavy atoms
26
Formal charge
0
Complexity
447

Related reactions

3 records
New reaction record
HRID 203038 reaction equation
HRID 203038As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 323683 reaction equation
HRID 323683As productuspto-grants-2001_04
HRID 377726 reaction equation
HRID 377726As productuspto-grants-2000_02

Compound notes

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