2-cyano-N-[(3-fluorophenyl)methyl]acetamide

HCID 28970880

Notes Reactions

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Basic information

Standard SMILES: N#CCC(=O)NCc1cccc(F)c1
InChIKey: XOWWTVMFRJBSHO-UHFFFAOYSA-N
Molecular formula: C10H9FN2O
Average molar mass: 192.19 g/mol
Monoisotopic mass: 192.06989108

Names & identifiers

Preferred name: 2-cyano-N-[(3-fluorophenyl)methyl]acetamide
IUPAC: 2-cyano-N-[(3-fluorophenyl)methyl]acetamide

Names & synonyms

2-cyano-N-[(3-fluorophenyl)methyl]acetamide566926-38-3SCHEMBL2263457XOWWTVMFRJBSHO-UHFFFAOYSA-NRXA926382-cyano-N-(3-fluorobenzyl)acetamideAKOS009259891CS-0236484EN300-171343G22985Z362629728

Database identifiers

PubChem CID: 28970880

Properties

Computed structural properties

XLogP: 1.4
Topological polar surface area: 52.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 14
Formal charge: 0
Complexity: 246

Related reactions

2 records

New reaction record

HRID 1555027As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

HRID 1818047As reactantuspto-grants-2009_10

Compound notes

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