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

C9H11BrN2O2 — CID 142707557

IUPAC1-(4-bromophenyl)-3-methoxy-1-methylurea
SMILESCONC(=O)N(C)c1ccc(Br)cc1
InChIInChI=1S/C9H11BrN2O2/c1-12(9(13)11-14-2)8-5-3-7(10)4-6-8/h3-6H,1-2H3,(H,11,13)
InChIKeyUWOIIDFGNOJECK-UHFFFAOYSA-N
MW259.10 g/mol
LogP2.16
Rot. Bonds2

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

1-(4-bromophenyl)-3-methoxy-1-methylurea (PubChem CID 142707557) has the molecular formula C9H11BrN2O2 and a molecular weight of 259.10 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-methoxy-1-methylurea.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-methoxy-1-methylurea
PubChem CID142707557
Molecular FormulaC9H11BrN2O2
Molecular Weight259.10 g/mol
Exact Mass258.00
IUPAC Name1-(4-bromophenyl)-3-methoxy-1-methylurea
SMILESCONC(=O)N(C)c1ccc(Br)cc1
InChIInChI=1S/C9H11BrN2O2/c1-12(9(13)11-14-2)8-5-3-7(10)4-6-8/h3-6H,1-2H3,(H,11,13)
InChIKeyUWOIIDFGNOJECK-UHFFFAOYSA-N
XLogP2.16
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 ≤ 52.16
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

ethyl N-(4-bromophenyl)-N-methylcarbamate
CID 131862849
(Z)-N-(4-bromophenyl)-N,2,3-trimethyl-4-oxobut-2-enamide
CID 153372261
methyl 2-[(4-bromo-N-methylanilino)methyl]butanoate
CID 115253055
2-bromo-N-(4-bromophenyl)-N-methylacetamide
CID 174990155
4-amino-N-(4-bromophenyl)-N,2,2-trimethylbutanamide
CID 115156946
1-(4-methoxyphenyl)-1,3-dimethylurea
CID 116655338
3-methoxy-1-methyl-1-(1,2-thiazol-5-yl)urea
CID 87869781
1-(4-bromophenyl)-1-hydroxy-3-methylurea
CID 15620447
N-(4-aminophenyl)-2-(4-bromophenoxy)-N-methylacetamide
CID 43376432
methyl 2-[(4-bromophenyl)methyl-methylamino]propanoate
CID 60705767
N',N'-bis(4-bromophenyl)oxamide
CID 154267801
N-(4-bromophenyl)-N-methyl-2-oxononanediamide
CID 70068849

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-methoxy-1-methylurea?
The IUPAC name of 1-(4-bromophenyl)-3-methoxy-1-methylurea (CID 142707557) is 1-(4-bromophenyl)-3-methoxy-1-methylurea.
What is the SMILES notation for 1-(4-bromophenyl)-3-methoxy-1-methylurea?
The canonical SMILES for 1-(4-bromophenyl)-3-methoxy-1-methylurea is CONC(=O)N(C)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-3-methoxy-1-methylurea?
The InChIKey is UWOIIDFGNOJECK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2O2/c1-12(9(13)11-14-2)8-5-3-7(10)4-6-8/h3-6H,1-2H3,(H,11,13).
What are the key properties of 1-(4-bromophenyl)-3-methoxy-1-methylurea?
1-(4-bromophenyl)-3-methoxy-1-methylurea has a molecular weight of 259.10 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-methoxy-1-methylurea is sourced from PubChem (CID 142707557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).