2-(4-Chloro-6-fluoro-2,3-dihydro-1H-inden-1-ylidene)acetamide

HCID 54575007

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Basic information

CAS: 166250-41-5
Standard SMILES: NC(=O)C=C1CCc2c(Cl)cc(F)cc21
InChIKey: ZZYSXQPBWFZFEK-UHFFFAOYSA-N
Molecular formula: C11H9ClFNO
Average molar mass: 225.64 g/mol
Monoisotopic mass: 225.0356698

Names & identifiers

Preferred name: 2-(4-Chloro-6-fluoro-2,3-dihydro-1H-inden-1-ylidene)acetamide
IUPAC: 2-(4-chloro-6-fluoro-2,3-dihydroinden-1-ylidene)acetamide

Names & synonyms

166250-41-5(E)-2-(4-Chloro-6-fluoro-2,3-dihydro-1H-inden-1-ylidene)acetamideSCHEMBL6757148DTXSID307123062-(4-Chloro-6-fluoro-2,3-dihydro-1H-inden-1-ylidene)acetamide

Database identifiers

CAS: 166250-41-5
PubChem CID: 54575007
DTXSID: DTXSID30712306

Properties

Computed structural properties

XLogP: 1.9
Topological polar surface area: 43.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 15
Formal charge: 0
Complexity: 305

Related reactions

1 records

New reaction record

HRID 1240757As productTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

Compound notes

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