Basic information
- Standard SMILES
CCC(NC(=O)Cc1cccc(Cl)c1)C(=O)OCC(C)C- InChIKey
UIMVUXCMLJRFRH-UHFFFAOYSA-N- Molecular formula
- C16H22ClNO3
- Average molar mass
- 311.8 g/mol
Names & identifiers
- Preferred name
- 2-[(3-Chlorophenyl)acetamido)butyric acid iso-butyl ester
- IUPAC
- 2-methylpropyl 2-[[2-(3-chlorophenyl)acetyl]amino]butanoate
Names & synonyms
2-[(3-chlorophenyl)acetamido)butyric acid iso-butyl ester2-[(3-chlorophenyl)acetamido]butyric acid iso-butyl esterSCHEMBL6321028UIMVUXCMLJRFRH-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 15547641
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 346
Related reactions
7 records
Compound notes
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