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CHEBI:94389 - N-(2,3-dihydroxypropoxy)-3,4-difluoro-2-(2-fluoro-4-iodoanilino)benzamide

ChEBI IDCHEBI:94389
ChEBI NameN-(2,3-dihydroxypropoxy)-3,4-difluoro-2-(2-fluoro-4-iodoanilino)benzamide
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FormulaC16H14F3IN2O4
Net Charge0
Average Mass482.196
Monoisotopic Mass481.99504
SMILESO=C(NOCC(O)CO)c1ccc(F)c(F)c1Nc1ccc(I)cc1F
InChIInChI=1S/C16H14F3IN2O4/c17-11-3-2-10(16(25)22-26-7-9(24)6-23)15(14(11)19)21-13-4-1-8(20)5-12(13)18/h1-5,9,21,23-24H,6-7H2,(H,22,25)
InChIKeySUDAHWBOROXANE-UHFFFAOYSA-N
Roles Classification
Chemical Roles:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
N-(2,3-dihydroxypropoxy)-3,4-difluoro-2-(2-fluoro-4-iodoanilino)benzamide (CHEBI:94389) is a aminobenzoic acid (CHEBI:22495)
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