2-(carbamoylamino)-N-[(4-chlorophenyl)methyl]-4-methylpentanamide
Basic information
- CAS
1009712-19-9- Standard SMILES
CC(C)CC(NC(N)=O)C(=O)NCc1ccc(Cl)cc1- InChIKey
NBHYAEYVUCHGII-UHFFFAOYSA-N- Molecular formula
- C14H20ClN3O2
- Average molar mass
- 297.78 g/mol
- Monoisotopic mass
- 297.1244046
Names & identifiers
- Preferred name
- 2-(carbamoylamino)-N-[(4-chlorophenyl)methyl]-4-methylpentanamide
- IUPAC
- 2-(carbamoylamino)-N-[(4-chlorophenyl)methyl]-4-methylpentanamide
Names & synonyms
2-(carbamoylamino)-N-[(4-chlorophenyl)methyl]-4-methylpentanamideMLS000517416CHEMBL1896548DTXSID801324271HMS2670J15AKOS0340251051009712-19-9SMR000343457SR-01000056096SR-01000056096-1N~2~-Carbamoyl-N-[(4-chlorophenyl)methyl]leucinamideZ27724669
Database identifiers
- CAS
1009712-19-9- PubChem CID
- 5228616
- DTXSID
DTXSID801324271- ChEMBL
CHEMBL1896548
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 84.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 328
Experimental & physicochemical properties
Solubility35.3 [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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