Basic information
- Standard SMILES
COc1ccc(CNC(=O)NCCCl)cc1OC- InChIKey
FPSMXWTXEIFDCI-UHFFFAOYSA-N- Molecular formula
- C12H17ClN2O3
- Average molar mass
- 272.73 g/mol
- Monoisotopic mass
- 272.09277008
Names & identifiers
- Preferred name
- Urea, 1-(2-chloroethyl)-3-veratryl-
- IUPAC
- 1-(2-chloroethyl)-3-[(3,4-dimethoxyphenyl)methyl]urea
Names & synonyms
Urea, 1-(2-chloroethyl)-3-veratryl-100248-86-01-(2-Chloroethyl)-3-veratrylureaBRN 27510221-(2-Chloroethyl)-(3,4-dimethoxybenzyl)ureaDTXSID20143064RefChem:387366DTXCID60655551-(2-chloroethyl)-3-[(3,4-dimethoxyphenyl)methyl]ureaNSC162108SCHEMBL2189554FPSMXWTXEIFDCI-UHFFFAOYSA-N
Show more names
NSC-162108N-(2-Chloroethyl)-N'-[(3,4-dimethoxyphenyl)methyl]ureaN-{[3,4-Bis(methyloxy)phenyl]methyl}-N'-(2-chloroethyl)urea
Database identifiers
- CAS
100248-86-0- PubChem CID
- 294136
- DTXSID
DTXSID20143064- Nikkaji
- J83.927B
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 59.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 253
Related reactions
2 records
Linked notes
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