(E)-3-(5-bromofuran-2-yl)-2-cyano-N-phenylprop-2-enamide

HCID 5337101

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Basic information

CAS: 5833-98-7
Standard SMILES: N#C/C(=C\c1ccc(Br)o1)C(=O)Nc1ccccc1
InChIKey: RCNKRGPAQRBDRU-CSKARUKUSA-N
Molecular formula: C14H9BrN2O2
Average molar mass: 317.14 g/mol
Monoisotopic mass: 315.98474

Names & identifiers

Preferred name: (E)-3-(5-bromofuran-2-yl)-2-cyano-N-phenylprop-2-enamide
IUPAC: (E)-3-(5-bromofuran-2-yl)-2-cyano-N-phenylprop-2-enamide

Names & synonyms

5833-98-7(E)-3-(5-bromofuran-2-yl)-2-cyano-N-phenylprop-2-enamide3-(5-bromo-2-furyl)-2-cyano-N-phenylacrylamideZINC05045659DTXSID00416662SR-01000221413SR-01000221413-1(2E)-3-(5-BROMOFURAN-2-YL)-2-CYANO-N-PHENYLPROP-2-ENAMIDE

Database identifiers

CAS: 5833-98-7
PubChem CID: 5337101
DTXSID: DTXSID00416662

Properties

Computed structural properties

XLogP: 3.9
Topological polar surface area: 66 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 19
Formal charge: 0
Complexity: 407

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