3-chloro-N-methyl-4-(piperazin-1-yl)benzamide

HCID 58324512

Notes Reactions

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Basic information

Standard SMILES: CNC(=O)c1ccc(N2CCNCC2)c(Cl)c1
InChIKey: JREFLWAUEICKRW-UHFFFAOYSA-N
Molecular formula: C12H16ClN3O
Average molar mass: 253.73 g/mol

Names & identifiers

Preferred name: 3-chloro-N-methyl-4-(piperazin-1-yl)benzamide
IUPAC: 3-chloro-N-methyl-4-piperazin-1-ylbenzamide

Names & synonyms

3-chloro-N-methyl-4-(piperazin-1-yl)benzamide1236119-57-5SCHEMBL533032SCHEMBL30542907JREFLWAUEICKRW-UHFFFAOYSA-NDB-3790333-Chloro-N-methyl-4-(1-piperazinyl)benzamide

Database identifiers

PubChem CID: 58324512

Properties

Computed structural properties

XLogP: 1.3
Topological polar surface area: 44.4 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 17
Formal charge: 0
Complexity: 268

Related reactions

5 records

New reaction record

HRID 44318As reactantuspto-grants-2013_09

HRID 173104As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 874531As reactantuspto-grants-2015_03

HRID 934027As reactantValidation data from https://doi.org/10.1039/C8SC04228D

HRID 1223436As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

Compound notes

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