N-(3-Bromo-4-methylphenyl)-2-methylpropanamide

HCID 22048859

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: Cc1ccc(NC(=O)C(C)C)cc1Br
InChIKey: JZYJDZQIBQLHLI-UHFFFAOYSA-N
Molecular formula: C11H14BrNO
Average molar mass: 256.14 g/mol

Names & identifiers

Preferred name: N-(3-Bromo-4-methylphenyl)-2-methylpropanamide
IUPAC: N-(3-bromo-4-methylphenyl)-2-methylpropanamide

Names & synonyms

SCHEMBL4768290JZYJDZQIBQLHLI-UHFFFAOYSA-NAKOS009164439N-(3-BROMO-4-METHYLPHENYL)-2-METHYLPROPANAMIDE

Database identifiers

PubChem CID: 22048859

Properties

Computed structural properties

XLogP: 3.5
Topological polar surface area: 29.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 14
Formal charge: 0
Complexity: 205

Related reactions

11 records

New reaction record

HRID 103591As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 932523As productValidation data from https://doi.org/10.1039/C8SC04228D

HRID 1269138As productuspto-grants-2007_04

HRID 1269139As reactantuspto-grants-2007_04

HRID 1832262As reactantuspto-grants-2006_06

HRID 1832421As productuspto-grants-2006_06

HRID 1832422As reactantuspto-grants-2006_06

HRID 2087255As reactantuspto-grants-2004_04

Compound notes

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