(2S)-2-(carbamoylamino)-N-[2-(2,4-dichlorophenyl)ethyl]-3-methylbutanamide
Basic information
- CAS
956612-19-4- Standard SMILES
CC(C)[C@H](NC(N)=O)C(=O)NCCc1ccc(Cl)cc1Cl- InChIKey
CIICIVTXWWNGBK-LBPRGKRZSA-N- Molecular formula
- C14H19Cl2N3O2
- Average molar mass
- 332.2 g/mol
- Monoisotopic mass
- 331.0854322
Names & identifiers
- Preferred name
- (2S)-2-(carbamoylamino)-N-[2-(2,4-dichlorophenyl)ethyl]-3-methylbutanamide
- IUPAC
- (2S)-2-(carbamoylamino)-N-[2-(2,4-dichlorophenyl)ethyl]-3-methylbutanamide
Names & synonyms
(2S)-2-(carbamoylamino)-N-[2-(2,4-dichlorophenyl)ethyl]-3-methylbutanamideMLS000517358CHEMBL1897345DTXSID801323861HMS2684G18AKOS034827316956612-19-4SMR000343471SR-01000056007SR-01000056007-1Z57009329N~2~-Carbamoyl-N-[2-(2,4-dichlorophenyl)ethyl]-L-valinamide
Database identifiers
- CAS
956612-19-4- PubChem CID
- 2122018
- DTXSID
DTXSID801323861- ChEMBL
CHEMBL1897345
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 84.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 366
Experimental & physicochemical properties
Solubility48.2 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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