Urea, 1-(2-chloroethyl)-3-veratryl-

HCID 294136CAS 100248-86-0

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

Related reactions

2 records

Linked notes

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