3-(4-bromophenyl)-1-methoxy-1-methylurea

C9H11BrN2O2 — CID 18290

IUPAC3-(4-bromophenyl)-1-methoxy-1-methylurea
SMILESCON(C)C(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C9H11BrN2O2/c1-12(14-2)9(13)11-8-5-3-7(10)4-6-8/h3-6H,1-2H3,(H,11,13)
InChIKeyWLFDQEVORAMCIM-UHFFFAOYSA-N
MW259.10 g/mol
LogP2.47
Rot. Bonds2

About 3-(4-bromophenyl)-1-methoxy-1-methylurea

3-(4-bromophenyl)-1-methoxy-1-methylurea (PubChem CID 18290) has the molecular formula C9H11BrN2O2 and a molecular weight of 259.10 g/mol. Its IUPAC name is 3-(4-bromophenyl)-1-methoxy-1-methylurea.

Molecular Properties

Compound Name3-(4-bromophenyl)-1-methoxy-1-methylurea
PubChem CID18290
Molecular FormulaC9H11BrN2O2
Molecular Weight259.10 g/mol
Exact Mass258.00
IUPAC Name3-(4-bromophenyl)-1-methoxy-1-methylurea
SMILESCON(C)C(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C9H11BrN2O2/c1-12(14-2)9(13)11-8-5-3-7(10)4-6-8/h3-6H,1-2H3,(H,11,13)
InChIKeyWLFDQEVORAMCIM-UHFFFAOYSA-N
XLogP2.47
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.10
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Chlorbromuron
CID 25912
N-(4-Bromophenyl)urea
CID 16074
N-(4-Bromophenyl)-N'-methylurea
CID 152311
3-(4-Bromophenyl)-1,1-diethylurea
CID 735609
3-(4-Bromophenyl)-1,1-dimethylurea
CID 18870
1-((4-Bromophenyl)carbamoyl)piperidine
CID 694497
1-(2-Bromophenyl)-3-phenylurea
CID 765466
Formamide, N-(4-bromophenyl)-
CID 17474
1-(4-Bromophenyl)-3-hydroxyurea
CID 4251126
1-(4-Bromophenyl)-3-phenylurea
CID 598833
1-(4-Bromophenyl)-3-methoxyurea
CID 5119115
1-(4-Bromo-2-fluorophenyl)-3-phenylurea
CID 897521

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-1-methoxy-1-methylurea?
The IUPAC name of 3-(4-bromophenyl)-1-methoxy-1-methylurea (CID 18290) is 3-(4-bromophenyl)-1-methoxy-1-methylurea.
What is the SMILES notation for 3-(4-bromophenyl)-1-methoxy-1-methylurea?
The canonical SMILES for 3-(4-bromophenyl)-1-methoxy-1-methylurea is CON(C)C(=O)Nc1ccc(Br)cc1.
What is the InChIKey of 3-(4-bromophenyl)-1-methoxy-1-methylurea?
The InChIKey is WLFDQEVORAMCIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2O2/c1-12(14-2)9(13)11-8-5-3-7(10)4-6-8/h3-6H,1-2H3,(H,11,13).
What are the key properties of 3-(4-bromophenyl)-1-methoxy-1-methylurea?
3-(4-bromophenyl)-1-methoxy-1-methylurea has a molecular weight of 259.10 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-1-methoxy-1-methylurea is sourced from PubChem (CID 18290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).