N-{2,2,2-trichloro-1-[(4-methoxyphenyl)amino]ethyl}octanamide
Basic information
- CAS
302820-66-2- Standard SMILES
CCCCCCCC(=O)NC(Nc1ccc(OC)cc1)C(Cl)(Cl)Cl- InChIKey
KRTJGGJLMFFXQB-UHFFFAOYSA-N- Molecular formula
- C17H25Cl3N2O2
- Average molar mass
- 395.7 g/mol
- Monoisotopic mass
- 394.098161
Names & identifiers
- Preferred name
- N-{2,2,2-trichloro-1-[(4-methoxyphenyl)amino]ethyl}octanamide
- IUPAC
- N-[2,2,2-trichloro-1-(4-methoxyanilino)ethyl]octanamide
Names & synonyms
STK822428AKOS000525299AKOS016332451N-{2,2,2-trichloro-1-[(4-methoxyphenyl)amino]ethyl}octanamideOCTANOIC ACID (2,2,2-TRICHLORO-1-(4-METHOXY-PHENYLAMINO)-ETHYL)-AMIDE
Database identifiers
- CAS
302820-66-2- PubChem CID
- 3145487
- EC Number
- 164-444-8
Properties
Computed structural properties
- XLogP
- 6.8
- Topological polar surface area
- 50.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 10
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 356
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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