N-[2,5-dibromo-3,6-dihydroxy-4-(propanoylamino)phenyl]propanamide

HCID 339264

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Basic information

CAS: 81534-95-4
Standard SMILES: CCC(=O)Nc1c(O)c(Br)c(NC(=O)CC)c(O)c1Br
InChIKey: HSTOZTZHONRMKE-UHFFFAOYSA-N
Molecular formula: C12H14Br2N2O4
Average molar mass: 410.06 g/mol
Monoisotopic mass: 407.93203

Names & identifiers

Preferred name: N-[2,5-dibromo-3,6-dihydroxy-4-(propanoylamino)phenyl]propanamide
IUPAC: N-[2,5-dibromo-3,6-dihydroxy-4-(propanoylamino)phenyl]propanamide

Names & synonyms

81534-95-4N-[2,5-dibromo-3,6-dihydroxy-4-(propanoylamino)phenyl]propanamideNSC365096DTXSID70320828NSC-365096DS-011886N,N'-(2,5-Dibromo-3,6-dihydroxy-1,4-phenylene)dipropanamide

Database identifiers

CAS: 81534-95-4
PubChem CID: 339264
DTXSID: DTXSID70320828

Properties

Computed structural properties

XLogP: 1.9
Topological polar surface area: 98.7 Å²
Hydrogen bond donors: 4
Hydrogen bond acceptors: 4
Rotatable bonds: 4
Heavy atoms: 20
Formal charge: 0
Complexity: 335

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