Basic information
- Standard SMILES
COC(=O)C1(NC(=O)Cc2cc(Br)ccc2C)CCCCC1- InChIKey
XPAHVZBWTKGZMS-UHFFFAOYSA-N- Molecular formula
- C17H22BrNO3
- Average molar mass
- 368.3 g/mol
Names & identifiers
- Preferred name
- Methyl 1-{[(5-bromo-2-methylphenyl)acetyl]amino}cyclohexanecarboxylate
- IUPAC
- methyl 1-[[2-(5-bromo-2-methylphenyl)acetyl]amino]cyclohexane-1-carboxylate
Names & synonyms
SCHEMBL2354233XPAHVZBWTKGZMS-UHFFFAOYSA-NMethyl 1-{[(5-bromo-2-methylphenyl)acetyl]amino}cyclohexanecarboxylate
Database identifiers
- PubChem CID
- 67375467
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 407
Related reactions
4 records
Compound notes
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