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1-n-Heptanoylamino-2-(2-chlorophenyl)ethane (HCID 20533894)|Huagongshe
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Compound
1-n-Heptanoylamino-2-(2-chlorophenyl)ethane
HCID
20533894
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Basic information
Names & identifiers
Properties
Related reactions
Compound notes
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Basic information
Standard SMILES
CCCCCCC(=O)NCCc1ccccc1Cl
InChIKey
TVEBBNOZDIBZCV-UHFFFAOYSA-N
Molecular formula
C15H22ClNO
Average molar mass
267.79 g/mol
Monoisotopic mass
267.138992
Names & identifiers
Preferred name
1-n-Heptanoylamino-2-(2-chlorophenyl)ethane
IUPAC
N-[2-(2-chlorophenyl)ethyl]heptanamide
Names & synonyms
SCHEMBL11268059
TVEBBNOZDIBZCV-UHFFFAOYSA-N
1-n-heptanoylamino-2-(2-chlorophenyl)ethane
Database identifiers
PubChem CID
20533894
Properties
Computed structural properties
XLogP
4.6
Topological polar surface area
29.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
8
Heavy atoms
18
Formal charge
0
Complexity
233
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Related reactions
2 records
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
186774
As product
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID
1156933
As product
uspto-grants-1982_06
Compound notes
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