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

C17H19BrN2O3 — CID 108902358

IUPAC1-[2-(4-bromophenyl)ethyl]-3-(2,4-dimethoxyphenyl)urea
SMILESCOc1ccc(NC(=O)NCCc2ccc(Br)cc2)c(OC)c1
InChIInChI=1S/C17H19BrN2O3/c1-22-14-7-8-15(16(11-14)23-2)20-17(21)19-10-9-12-3-5-13(18)6-4-12/h3-8,11H,9-10H2,1-2H3,(H2,19,20,21)
InChIKeyLCRHACACFUOZOD-UHFFFAOYSA-N
MW379.25 g/mol
LogP3.83
Rot. Bonds6

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

1-[2-(4-bromophenyl)ethyl]-3-(2,4-dimethoxyphenyl)urea (PubChem CID 108902358) has the molecular formula C17H19BrN2O3 and a molecular weight of 379.25 g/mol. Its IUPAC name is 1-[2-(4-bromophenyl)ethyl]-3-(2,4-dimethoxyphenyl)urea.

Molecular Properties

Compound Name1-[2-(4-bromophenyl)ethyl]-3-(2,4-dimethoxyphenyl)urea
PubChem CID108902358
Molecular FormulaC17H19BrN2O3
Molecular Weight379.25 g/mol
Exact Mass378.06
IUPAC Name1-[2-(4-bromophenyl)ethyl]-3-(2,4-dimethoxyphenyl)urea
SMILESCOc1ccc(NC(=O)NCCc2ccc(Br)cc2)c(OC)c1
InChIInChI=1S/C17H19BrN2O3/c1-22-14-7-8-15(16(11-14)23-2)20-17(21)19-10-9-12-3-5-13(18)6-4-12/h3-8,11H,9-10H2,1-2H3,(H2,19,20,21)
InChIKeyLCRHACACFUOZOD-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

4-[2-[(2,4-dimethoxyphenyl)carbamoylamino]ethyl]-N-hydroxybenzamide
CID 87384431
1-(2,4-dimethoxyphenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 108989677
2-[4-[2-[(2,4-dimethoxyphenyl)carbamoylamino]ethyl]phenoxy]-2-methylpropanoic acid
CID 22924113
1-(2,4-dimethoxyphenyl)-3-(3-oxobutyl)urea
CID 108895113
N-[2-(4-chlorophenyl)ethyl]-N'-(2,4-dimethoxyphenyl)oxamide
CID 44998127
1-[2-(4-bromophenyl)ethyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
CID 108891454
N'-(2,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]oxamide
CID 2274190
1-(2,4-dimethylphenyl)-3-[2-(4-methoxyphenyl)ethyl]urea
CID 108901898
1-[(4-chlorophenyl)methyl]-3-(2,4-dimethoxyphenyl)urea
CID 17283665
1-(2,4-dimethoxyphenyl)-3-[2-(4,5-dimethylthiophen-3-yl)ethyl]urea
CID 22575175
1-(2-methoxy-4-methylphenyl)-3-[2-(4-prop-2-ynoxyphenyl)ethyl]urea
CID 86875415
1-(2-ethoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]urea
CID 971052

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-bromophenyl)ethyl]-3-(2,4-dimethoxyphenyl)urea?
The IUPAC name of 1-[2-(4-bromophenyl)ethyl]-3-(2,4-dimethoxyphenyl)urea (CID 108902358) is 1-[2-(4-bromophenyl)ethyl]-3-(2,4-dimethoxyphenyl)urea.
What is the SMILES notation for 1-[2-(4-bromophenyl)ethyl]-3-(2,4-dimethoxyphenyl)urea?
The canonical SMILES for 1-[2-(4-bromophenyl)ethyl]-3-(2,4-dimethoxyphenyl)urea is COc1ccc(NC(=O)NCCc2ccc(Br)cc2)c(OC)c1.
What is the InChIKey of 1-[2-(4-bromophenyl)ethyl]-3-(2,4-dimethoxyphenyl)urea?
The InChIKey is LCRHACACFUOZOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O3/c1-22-14-7-8-15(16(11-14)23-2)20-17(21)19-10-9-12-3-5-13(18)6-4-12/h3-8,11H,9-10H2,1-2H3,(H2,19,20,21).
What are the key properties of 1-[2-(4-bromophenyl)ethyl]-3-(2,4-dimethoxyphenyl)urea?
1-[2-(4-bromophenyl)ethyl]-3-(2,4-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-(4-bromophenyl)ethyl]-3-(2,4-dimethoxyphenyl)urea is sourced from PubChem (CID 108902358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).