N-(2-Chloro-4,5-difluorophenyl)-N'-[2-(3-methoxyphenoxy)ethyl]urea
Basic information
- CAS
5924-10-7- Standard SMILES
COc1cccc(OCCNC(=O)Nc2cc(F)c(F)cc2Cl)c1- InChIKey
CLGVGHRKHCILBJ-UHFFFAOYSA-N- Molecular formula
- C16H15ClF2N2O3
- Average molar mass
- 356.75 g/mol
- Monoisotopic mass
- 356.0739264
Names & identifiers
- Preferred name
- N-(2-Chloro-4,5-difluorophenyl)-N'-[2-(3-methoxyphenoxy)ethyl]urea
- IUPAC
- 1-(2-chloro-4,5-difluorophenyl)-3-[2-(3-methoxyphenoxy)ethyl]urea
Names & synonyms
N-(2-Chloro-4,5-difluorophenyl)-N'-[2-(3-methoxyphenoxy)ethyl]urea5924-10-71-(2-chloro-4,5-difluorophenyl)-3-[2-(3-methoxyphenoxy)ethyl]ureaMLS000683298SMR000267659CBMicro_037496Cambridge id 5924107cid_616284CHEMBL1371802BDBM94164DTXSID10346906CLGVGHRKHCILBJ-UHFFFAOYSA-N
Show more names
HMS2733A16STK733300AKOS001704971BIM-0037521.P001ST50432756AG-205/33165005SR-01000507985SR-01000507985-1
Database identifiers
- CAS
5924-10-7- PubChem CID
- 616284
- DTXSID
DTXSID10346906- ChEMBL
CHEMBL1371802
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 59.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 406
Experimental & physicochemical properties
Solubility<0.4 [ug/mL] (The mean of the results at pH 7.4)
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Compound notes
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