1-(2,5-Dichlorophenyl)-3-hexadecylurea
Basic information
- CAS
6312-95-4- Standard SMILES
CCCCCCCCCCCCCCCCNC(=O)Nc1cc(Cl)ccc1Cl- InChIKey
VOAXRBMMVYVVSE-UHFFFAOYSA-N- Molecular formula
- C23H38Cl2N2O
- Average molar mass
- 429.5 g/mol
- Monoisotopic mass
- 428.2361192
Names & identifiers
- Preferred name
- 1-(2,5-Dichlorophenyl)-3-hexadecylurea
- IUPAC
- 1-(2,5-dichlorophenyl)-3-hexadecylurea
- English name
- 3-(2,5-dichlorophenyl)-1-hexadecyl-urea
- Molecular formula
- C23H38Cl2N2O
- Molecular weight
- 429.47
Names & synonyms
6312-95-41-(2,5-dichlorophenyl)-3-hexadecylureaNSC40604DTXSID60285134NSC-40604N-(2,5-Dichlorophenyl)-N'-hexadecylurea3-(2,5-dichlorophenyl)-1-hexadecyl-ureaUrea, N-(2,5-dichlorophenyl)-N'-hexadecyl-
Database identifiers
- CAS
6312-95-4- PubChem CID
- 237268
- DTXSID
DTXSID60285134
Properties
Computed structural properties
- XLogP
- 9.8
- Topological polar surface area
- 41.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 16
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 382
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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