1-[(E)-3-(4-Chloro-3-fluoro-phenyl)-acryloyl]-[1,4]diazepan-5-one

HCID 68432166
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Basic information

Standard SMILES
O=C1CCN(C(=O)/C=C/c2ccc(Cl)c(F)c2)CCN1
InChIKey
QWHKCSMAODYAMS-DUXPYHPUSA-N
Molecular formula
C14H14ClFN2O2
Average molar mass
296.72 g/mol

Names & identifiers

Preferred name
1-[(E)-3-(4-Chloro-3-fluoro-phenyl)-acryloyl]-[1,4]diazepan-5-one
IUPAC
1-[(E)-3-(4-chloro-3-fluorophenyl)prop-2-enoyl]-1,4-diazepan-5-one

Names & synonyms

SCHEMBL2896888QWHKCSMAODYAMS-DUXPYHPUSA-N1-[(E)-3-(4-Chloro-3-fluoro-phenyl)-acryloyl]-[1,4]diazepan-5-one

Database identifiers

PubChem CID
68432166

Properties

Computed structural properties

XLogP
1.6
Topological polar surface area
49.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
20

Related reactions

1 records
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Compound notes

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