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2-(N-chloroacetyl-2,6-dimethylphenylamino)cyclopentanol

HCID 15580653
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Basic information

Standard SMILES
Cc1cccc(C)c1N(C(=O)CCl)C1CCCC1O
InChIKey
SRPZHHZIXLNXIY-UHFFFAOYSA-N
Molecular formula
C15H20ClNO2
Average molar mass
281.78 g/mol

Names & identifiers

Preferred name
2-(N-chloroacetyl-2,6-dimethylphenylamino)cyclopentanol
IUPAC
2-chloro-N-(2,6-dimethylphenyl)-N-(2-hydroxycyclopentyl)acetamide

Names & synonyms

SCHEMBL11254415SRPZHHZIXLNXIY-UHFFFAOYSA-N2-(N-chloroacetyl-2,6-dimethylphenylamino)cyclopentanol

Database identifiers

PubChem CID
15580653

Properties

Computed structural properties

XLogP
2.9
Topological polar surface area
40.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
3
Heavy atoms
19
Formal charge
0
Complexity
313

Related reactions

4 records
New reaction record
HRID 46573 reaction equation
HRID 46573As reactantuspto-grants-1979_11
HRID 287542 reaction equation
HRID 287542As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 443338 reaction equation
HRID 443338As reactantuspto-grants-1981_04
HRID 2286035 reaction equation
HRID 2286035As reactantuspto-grants-1982_04

Compound notes

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