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N-(3-amino-3-(4-chlorophenyl)propyl)acetamide

HCID 57750409
NotesReactions

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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(=O)NCCC(N)c1ccc(Cl)cc1
InChIKey
HTFVBWJLMNZNRW-UHFFFAOYSA-N
Molecular formula
C11H15ClN2O
Average molar mass
226.7 g/mol
Monoisotopic mass
226.0872908

Names & identifiers

Preferred name
N-(3-amino-3-(4-chlorophenyl)propyl)acetamide
IUPAC
N-[3-amino-3-(4-chlorophenyl)propyl]acetamide

Names & synonyms

N-(3-amino-3-(4-chlorophenyl)propyl)acetamideN-[3-amino-3-(4-chlorophenyl)propyl]acetamide1143534-21-7SCHEMBL387715HTFVBWJLMNZNRW-UHFFFAOYSA-NDB-144054

Database identifiers

PubChem CID
57750409

Properties

Computed structural propertiesFilling in

XLogP
1.1
Topological polar surface area
55.1 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
2
Rotatable bonds
4
Heavy atoms
15
Formal charge
0
Complexity
203

Related reactions

3 records
New reaction record
HRID 423047 reaction equation
HRID 423047As productuspto-grants-2012_01
HRID 423048 reaction equation
HRID 423048As catalystAs reactantuspto-grants-2012_01
HRID 2151360 reaction equation
HRID 2151360As productTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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