N-[4-(2-Chloro-ethyl)-2-methyl-phenyl]-acetamide

HCID 21963464

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: CC(=O)Nc1ccc(CCCl)cc1C
InChIKey: FDDVZBZBNNPDHU-UHFFFAOYSA-N
Molecular formula: C11H14ClNO
Average molar mass: 211.69 g/mol

Names & identifiers

Preferred name: N-[4-(2-Chloro-ethyl)-2-methyl-phenyl]-acetamide
IUPAC: N-[4-(2-chloroethyl)-2-methylphenyl]acetamide

Names & synonyms

SCHEMBL6106197FDDVZBZBNNPDHU-UHFFFAOYSA-NN-[4-(2-Chloro-ethyl)-2-methyl-phenyl]-acetamide

Database identifiers

PubChem CID: 21963464

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 29.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 3
Heavy atoms: 14
Formal charge: 0
Complexity: 196

Related reactions

9 records

New reaction record

HRID 319572As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 319974As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 832141As reactantTest data from https://doi.org/10.1039/C8SC04228D

HRID 2152543As reactantTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

HRID 2211910As reactantuspto-grants-2006_09

HRID 2211911As reactantuspto-grants-2006_09

HRID 2211914As reactantuspto-grants-2006_09

HRID 2211916As reactantuspto-grants-2006_09

Compound notes

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