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4-(3-Amino-5-chloro-phenoxymethyl)-N-methyl-benzamide

HCID 68458735
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CNC(=O)c1ccc(COc2cc(N)cc(Cl)c2)cc1
InChIKey
WTOJVGVZHMOZPV-UHFFFAOYSA-N
Molecular formula
C15H15ClN2O2
Average molar mass
290.74 g/mol

Names & identifiers

Preferred name
4-(3-Amino-5-chloro-phenoxymethyl)-N-methyl-benzamide
IUPAC
4-[(3-amino-5-chlorophenoxy)methyl]-N-methylbenzamide

Names & synonyms

SCHEMBL2962789WTOJVGVZHMOZPV-UHFFFAOYSA-N4-(3-Amino-5-chloro-phenoxymethyl)-N-methyl-benzamide

Database identifiers

PubChem CID
68458735

Properties

Computed structural properties

XLogP
2.6
Topological polar surface area
64.4 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
3
Rotatable bonds
4
Heavy atoms
20
Formal charge
0
Complexity
319

Related reactions

6 records
New reaction record
HRID 93442 reaction equation
HRID 93442As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 2197949 reaction equation
HRID 2197949As productuspto-grants-2012_12
HRID 2197950 reaction equation
HRID 2197950As reactantuspto-grants-2012_12
HRID 2337168 reaction equation
HRID 2337168As productTraining data from https://doi.org/10.1039/C8SC04228D (10/10)
HRID 2358784 reaction equation
HRID 2358784As productuspto-grants-2010_07
HRID 2358785 reaction equation
HRID 2358785As reactantuspto-grants-2010_07

Compound notes

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