1-[2-(2-bromophenyl)ethyl]-3-(3,4-dimethoxyphenyl)urea

C17H19BrN2O3 — CID 49110917

IUPAC1-[2-(2-bromophenyl)ethyl]-3-(3,4-dimethoxyphenyl)urea
SMILESCOc1ccc(NC(=O)NCCc2ccccc2Br)cc1OC
InChIInChI=1S/C17H19BrN2O3/c1-22-15-8-7-13(11-16(15)23-2)20-17(21)19-10-9-12-5-3-4-6-14(12)18/h3-8,11H,9-10H2,1-2H3,(H2,19,20,21)
InChIKeyCKESAUFSEBGVMS-UHFFFAOYSA-N
MW379.25 g/mol
LogP3.83
Rot. Bonds6

About 1-[2-(2-bromophenyl)ethyl]-3-(3,4-dimethoxyphenyl)urea

1-[2-(2-bromophenyl)ethyl]-3-(3,4-dimethoxyphenyl)urea (PubChem CID 49110917) has the molecular formula C17H19BrN2O3 and a molecular weight of 379.25 g/mol. Its IUPAC name is 1-[2-(2-bromophenyl)ethyl]-3-(3,4-dimethoxyphenyl)urea.

Molecular Properties

Compound Name1-[2-(2-bromophenyl)ethyl]-3-(3,4-dimethoxyphenyl)urea
PubChem CID49110917
Molecular FormulaC17H19BrN2O3
Molecular Weight379.25 g/mol
Exact Mass378.06
IUPAC Name1-[2-(2-bromophenyl)ethyl]-3-(3,4-dimethoxyphenyl)urea
SMILESCOc1ccc(NC(=O)NCCc2ccccc2Br)cc1OC
InChIInChI=1S/C17H19BrN2O3/c1-22-15-8-7-13(11-16(15)23-2)20-17(21)19-10-9-12-5-3-4-6-14(12)18/h3-8,11H,9-10H2,1-2H3,(H2,19,20,21)
InChIKeyCKESAUFSEBGVMS-UHFFFAOYSA-N
XLogP3.83
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.25
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-bromophenyl)ethyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 49110521
1-[2-(2-bromophenyl)ethyl]-3-(3-methylphenyl)urea
CID 108888015
1-[2-(2-bromophenyl)ethyl]-3-(3-chloro-4-methylphenyl)urea
CID 108900450
1-(3,4-dimethoxyphenyl)-3-(2-pyridin-2-ylethyl)urea
CID 47032165
1-(3-bromo-4-methylphenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
CID 108989692
1-[2-(2-bromophenyl)ethyl]-3-(4-chlorophenyl)urea
CID 108868699
1-[2-(2-bromophenyl)ethyl]-3-(4-iodophenyl)urea
CID 108900609
1-[2-(2-methoxyphenyl)ethyl]-3-(3-methylphenyl)urea
CID 6464688
1-[2-(2-bromophenyl)ethyl]-3-(4-phenoxyphenyl)urea
CID 108900492
1-(3,4-dimethylphenyl)-3-[2-(2,4,5-trimethoxyphenyl)ethyl]urea
CID 113217284
1-[2-(2-bromophenyl)ethyl]-3-[4-(diethylamino)phenyl]urea
CID 108900589
1-(3-methoxyphenyl)-3-[2-(2-methoxyphenyl)ethyl]urea
CID 2207277

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-bromophenyl)ethyl]-3-(3,4-dimethoxyphenyl)urea?
The IUPAC name of 1-[2-(2-bromophenyl)ethyl]-3-(3,4-dimethoxyphenyl)urea (CID 49110917) is 1-[2-(2-bromophenyl)ethyl]-3-(3,4-dimethoxyphenyl)urea.
What is the SMILES notation for 1-[2-(2-bromophenyl)ethyl]-3-(3,4-dimethoxyphenyl)urea?
The canonical SMILES for 1-[2-(2-bromophenyl)ethyl]-3-(3,4-dimethoxyphenyl)urea is COc1ccc(NC(=O)NCCc2ccccc2Br)cc1OC.
What is the InChIKey of 1-[2-(2-bromophenyl)ethyl]-3-(3,4-dimethoxyphenyl)urea?
The InChIKey is CKESAUFSEBGVMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O3/c1-22-15-8-7-13(11-16(15)23-2)20-17(21)19-10-9-12-5-3-4-6-14(12)18/h3-8,11H,9-10H2,1-2H3,(H2,19,20,21).
What are the key properties of 1-[2-(2-bromophenyl)ethyl]-3-(3,4-dimethoxyphenyl)urea?
1-[2-(2-bromophenyl)ethyl]-3-(3,4-dimethoxyphenyl)urea has a molecular weight of 379.25 g/mol, XLogP of 3.83, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-bromophenyl)ethyl]-3-(3,4-dimethoxyphenyl)urea is sourced from PubChem (CID 49110917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).