2-(2-Chloro-4-trifluoromethylphenylamino)-3-methylbutyramide
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Basic information
- CAS
76338-72-2- Standard SMILES
CC(C)C(Nc1ccc(C(F)(F)F)cc1Cl)C(N)=O- InChIKey
XCXAICIXENSJAI-UHFFFAOYSA-N- Molecular formula
- C12H14ClF3N2O
- Average molar mass
- 294.7 g/mol
- Monoisotopic mass
- 294.0746753
Names & identifiers
- Preferred name
- 2-(2-Chloro-4-trifluoromethylphenylamino)-3-methylbutyramide
- IUPAC
- 2-[2-chloro-4-(trifluoromethyl)anilino]-3-methylbutanamide
Names & synonyms
2-(2-chloro-4-trifluoromethylphenylamino)-3-methylbutyramideSCHEMBL11438903DTXSID8013586142-[[2-Chloro-4-(trifluoromethyl)phenyl]amino]-3-methylbutanamide76338-72-2
Database identifiers
- CAS
76338-72-2- PubChem CID
- 23337697
- DTXSID
DTXSID801358614
Properties
Computed structural propertiesFilling in
- XLogP
- 3.7
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 323
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Related reactions
1 records
Compound notes
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