5-bromo-2-fluoro-N-methoxy-N-methylbenzamide

HCID 60629520

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: CON(C)C(=O)c1cc(Br)ccc1F
InChIKey: ORNUZWNZNTXRGM-UHFFFAOYSA-N
Molecular formula: C9H9BrFNO2
Average molar mass: 262.08 g/mol
Monoisotopic mass: 260.98007

Names & identifiers

Preferred name: 5-bromo-2-fluoro-N-methoxy-N-methylbenzamide
IUPAC: 5-bromo-2-fluoro-N-methoxy-N-methylbenzamide

Names & synonyms

5-bromo-2-fluoro-N-methoxy-N-methylbenzamide910912-20-85-bromo-2-fluoro-N-methoxy-N-methyl-benzamideMFCD12798298SCHEMBL10909ORNUZWNZNTXRGM-UHFFFAOYSA-NAKOS008917186AT21834DA-38923CS-0195469F632709A1-45416

Database identifiers

PubChem CID: 60629520

Properties

Computed structural properties

XLogP: 2.2
Topological polar surface area: 29.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 14
Formal charge: 0
Complexity: 215

Related reactions

13 records

New reaction record

HRID 593336As reactantuspto-grants-2016_01

HRID 879420As productuspto-grants-2015_03

HRID 879421As reactantuspto-grants-2015_03

HRID 1042082As productuspto-grants-2013_10

HRID 1042083As reactantuspto-grants-2013_10

HRID 1563156As productTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

HRID 1566192As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

HRID 1575291As productTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

Compound notes

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