Dibromoacetic acid; Amide

AlkaPlorer ID: AK094129

Synonym: Dibromoacetamide

IUPAC Name: 2,2-dibromoacetamide

Structure

SMILES: NC(=O)C(Br)Br

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InChI: InChI=1S/C2H3Br2NO/c3-1(4)2(5)6/h1H,(H2,5,6)

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InChIKey: YUIKPESWSMJSMP-UHFFFAOYSA-N

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Reference

PubChem CID: 69025

CAS: 598-70-9

COCONUT: CNP0017791

Source

Properties Information

Molecule Weight: 216.86

TPSA: 43.09

MolLogP: 0.5876

Number of H-Donors: 1

Number of H-Acceptors: 1

RingCount: 0

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Equus caballus Alcohol dehydrogenase Ki 3235936.57 nM 10.1021/jm00155a005
None No relevant target LogP 0.18 None 10.1021/jm00155a005

Metabolism Information