2-chloro-N,N-diethyl-4-methylbenzamide

HCID 885847

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: CCN(CC)C(=O)c1ccc(C)cc1Cl
InChIKey: SIRHIIBJHMFXAV-UHFFFAOYSA-N
Molecular formula: C12H16ClNO
Average molar mass: 225.71 g/mol

Names & identifiers

Preferred name: 2-chloro-N,N-diethyl-4-methylbenzamide
IUPAC: 2-chloro-N,N-diethyl-4-methylbenzamide

Names & synonyms

2-chloro-N,N-diethyl-4-methylbenzamideCambridge id 6636182SCHEMBL471670SIRHIIBJHMFXAV-UHFFFAOYSA-N3-chloro-N,N-diethyl-p-toluamideSTK225240AKOS003304962AB00113261-01SR-01000239766SR-01000239766-1

Database identifiers

PubChem CID: 885847

Properties

Computed structural properties

XLogP: 3.1
Topological polar surface area: 20.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 3
Heavy atoms: 15
Formal charge: 0
Complexity: 216

Related reactions

6 records

New reaction record

HRID 159536As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 365066As productuspto-grants-1986_08

HRID 1583735As productuspto-grants-1985_11

HRID 2100599As productuspto-grants-2009_08

HRID 2100600As reactantuspto-grants-2009_08

HRID 2100601As reactantuspto-grants-2009_08

Compound notes

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