Basic information
- CAS
646536-33-6- Standard SMILES
O=C(NCCNCC(O)COc1ccccc1I)Nc1ccccc1- InChIKey
NFHJVIVHOFPIBM-UHFFFAOYSA-N- Molecular formula
- C18H22IN3O3
- Average molar mass
- 455.3 g/mol
- Monoisotopic mass
- 455.07059
Names & identifiers
- Preferred name
- Urea, N-[2-[[2-hydroxy-3-(2-iodophenoxy)propyl]amino]ethyl]-N'-phenyl-
- IUPAC
- 1-[2-[[2-hydroxy-3-(2-iodophenoxy)propyl]amino]ethyl]-3-phenylurea
Names & synonyms
646536-33-6Urea, N-[2-[[2-hydroxy-3-(2-iodophenoxy)propyl]amino]ethyl]-N'-phenyl-DTXSID20435173N-(2-{[2-Hydroxy-3-(2-iodophenoxy)propyl]amino}ethyl)-N'-phenylurea
Database identifiers
- CAS
646536-33-6- PubChem CID
- 10072697
- DTXSID
DTXSID20435173
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 82.6 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 381
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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