N-[2-(3-chlorophenyl)ethyl]-N'-(2,5-dimethoxyphenyl)urea
Basic information
- CAS
708223-06-7- Standard SMILES
COc1ccc(OC)c(NC(=O)NCCc2cccc(Cl)c2)c1- InChIKey
YJXLAWKGAYMKCK-UHFFFAOYSA-N- Molecular formula
- C17H19ClN2O3
- Average molar mass
- 334.8 g/mol
- Monoisotopic mass
- 334.1084202
Names & identifiers
- Preferred name
- N-[2-(3-chlorophenyl)ethyl]-N'-(2,5-dimethoxyphenyl)urea
- IUPAC
- 1-[2-(3-chlorophenyl)ethyl]-3-(2,5-dimethoxyphenyl)urea
Names & synonyms
N-[2-(3-chlorophenyl)ethyl]-N'-(2,5-dimethoxyphenyl)urea1-[2-(3-chlorophenyl)ethyl]-3-(2,5-dimethoxyphenyl)urea708223-06-7MLS000621380CHEMBL1391791DTXSID401323857HMS2684F21STK458518AKOS003346968SMR000294405ST50850192SR-01000278417
Show more names
SR-01000278417-1Z409971744N-(2,5-dimethoxyphenyl){[2-(3-chlorophenyl)ethyl]amino}carboxamide
Database identifiers
- CAS
708223-06-7- PubChem CID
- 971380
- DTXSID
DTXSID401323857- ChEMBL
CHEMBL1391791
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 59.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 370
Experimental & physicochemical properties
Solubility1.9 [ug/mL] (The mean of the results at pH 7.4)
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Compound notes
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