1-(4-Bromophenyl)-3-hexadecylurea
Basic information
- CAS
6936-83-0- Standard SMILES
CCCCCCCCCCCCCCCCNC(=O)Nc1ccc(Br)cc1- InChIKey
ADPVZPFBFNBZSH-UHFFFAOYSA-N- Molecular formula
- C23H39BrN2O
- Average molar mass
- 439.5 g/mol
- Monoisotopic mass
- 438.22458
Names & identifiers
- Preferred name
- 1-(4-Bromophenyl)-3-hexadecylurea
- IUPAC
- 1-(4-bromophenyl)-3-hexadecylurea
Names & synonyms
6936-83-01-(4-bromophenyl)-3-hexadecylureaNSC40508DTXSID10285109N-(4-Bromophenyl)-N'-hexadecylureaNSC-40508
Database identifiers
- CAS
6936-83-0- PubChem CID
- 237203
- DTXSID
DTXSID10285109
Properties
Computed structural properties
- XLogP
- 9.4
- Topological polar surface area
- 41.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 16
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 343
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Compound notes
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