1-(5-Chloro-2-methoxyphenyl)-3-(pyridin-2-ylmethyl)urea
Basic information
- CAS
196868-99-2- Standard SMILES
COc1ccc(Cl)cc1NC(=O)NCc1ccccn1- InChIKey
IZIMITUWGNTAJP-UHFFFAOYSA-N- Molecular formula
- C14H14ClN3O2
- Average molar mass
- 291.73 g/mol
- Monoisotopic mass
- 291.0774544
Names & identifiers
- Preferred name
- 1-(5-Chloro-2-methoxyphenyl)-3-(pyridin-2-ylmethyl)urea
- IUPAC
- 1-(5-chloro-2-methoxyphenyl)-3-(pyridin-2-ylmethyl)urea
- English name
- 1-(5-Chloro-2-methoxyphenyl)-3-(pyridin-2-ylmethyl)urea
- Molecular formula
- C14H14ClN3O2
- Molecular weight
- 291.73
Names & synonyms
1-(5-chloro-2-methoxyphenyl)-3-(pyridin-2-ylmethyl)urea196868-99-2N-(5-chloro-2-methoxyphenyl)-N'-(2-pyridinylmethyl)ureaN-(5-Chloro-2-methoxyphenyl)-N'-[(pyridin-2-yl)methyl]ureaMLS001223875CHEMBL1712156DTXSID301323923HMS2982B15STK415121AKOS003316744SMR000678251ST50557320
Show more names
Urea, N-(5-chloro-2-methoxyphenyl)-N'-(2-pyridinylmethyl)-
Z1667312261-(5-CHLORO-2-METHOXYPHENYL)-3-(2-PYRIDYLMETHYL)UREAN-(5-chloro-2-methoxyphenyl)[(2-pyridylmethyl)amino]carboxamide
Database identifiers
- CAS
196868-99-2- PubChem CID
- 4384086
- DTXSID
DTXSID301323923- ChEMBL
CHEMBL1712156
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 63.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 317
Experimental & physicochemical properties
Solubility41.6 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Boiling point
- 433 · 433.0±45.0 °C(Predicted)
- Density
- 1.318 · 1.318±0.06 g/cm3(Predicted)
- pka
- 12.43 · 12.43±0.46(Predicted)
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…