2-[2-nitro-4-(trifluoromethyl)anilino]-N-propan-2-ylacetamide

HCID 4884124

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Basic information

CAS: 851799-13-8
Standard SMILES: CC(C)NC(=O)CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-]
InChIKey: GFONZIAOROBTDF-UHFFFAOYSA-N
Molecular formula: C12H14F3N3O3
Average molar mass: 305.25 g/mol
Monoisotopic mass: 305.0987258

Names & identifiers

Preferred name: 2-[2-nitro-4-(trifluoromethyl)anilino]-N-propan-2-ylacetamide
IUPAC: 2-[2-nitro-4-(trifluoromethyl)anilino]-N-propan-2-ylacetamide

Names & synonyms

2-[2-nitro-4-(trifluoromethyl)anilino]-N-propan-2-ylacetamideMLS001006224CHEMBL1536609DTXSID101321169HMS2677E24AKOS008916029851799-13-8SMR000384275Z27645456N~2~-[2-Nitro-4-(trifluoromethyl)phenyl]-N-propan-2-ylglycinamide

Database identifiers

CAS: 851799-13-8
PubChem CID: 4884124
DTXSID: DTXSID101321169
ChEMBL: CHEMBL1536609

Properties

Computed structural properties

XLogP: 3.3
Topological polar surface area: 87 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 7
Rotatable bonds: 4
Heavy atoms: 21
Formal charge: 0
Complexity: 382

Experimental & physicochemical properties

Solubility13.4 [ug/mL] (The mean of the results at pH 7.4)

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