2-(4-fluorophenyl)-N-methylpent-4-enamide

HCID 68977261

Notes Reactions

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Basic information

CAS: 810680-64-9
Standard SMILES: C=CCC(C(=O)NC)c1ccc(F)cc1
InChIKey: KMYUKZMTRRXUDF-UHFFFAOYSA-N
Molecular formula: C12H14FNO
Average molar mass: 207.24 g/mol
Monoisotopic mass: 207.10594223

Names & identifiers

Preferred name: 2-(4-fluorophenyl)-N-methylpent-4-enamide
IUPAC: 2-(4-fluorophenyl)-N-methylpent-4-enamide

Names & synonyms

2-(4-fluorophenyl)-N-methylpent-4-enamideSCHEMBL4257537KMYUKZMTRRXUDF-UHFFFAOYSA-NDTXSID4012329014-Fluoro-N-methyl-I+/--2-propen-1-ylbenzeneacetamide810680-64-9

Database identifiers

CAS: 810680-64-9
PubChem CID: 68977261
DTXSID: DTXSID401232901

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 29.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 4
Heavy atoms: 15
Formal charge: 0
Complexity: 222

Related reactions

3 records

New reaction record

HRID 135883As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 749441As productuspto-grants-2008_07

HRID 749442As reactantuspto-grants-2008_07

Compound notes

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