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

C8H9BrN2O2 — CID 15620447

IUPAC1-(4-bromophenyl)-1-hydroxy-3-methylurea
SMILESCNC(=O)N(O)c1ccc(Br)cc1
InChIInChI=1S/C8H9BrN2O2/c1-10-8(12)11(13)7-4-2-6(9)3-5-7/h2-5,13H,1H3,(H,10,12)
InChIKeyZWESVWIFYDYOCT-UHFFFAOYSA-N
MW245.08 g/mol
LogP1.98
Rot. Bonds1

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

1-(4-bromophenyl)-1-hydroxy-3-methylurea (PubChem CID 15620447) has the molecular formula C8H9BrN2O2 and a molecular weight of 245.08 g/mol. Its IUPAC name is 1-(4-bromophenyl)-1-hydroxy-3-methylurea.

Molecular Properties

Compound Name1-(4-bromophenyl)-1-hydroxy-3-methylurea
PubChem CID15620447
Molecular FormulaC8H9BrN2O2
Molecular Weight245.08 g/mol
Exact Mass243.98
IUPAC Name1-(4-bromophenyl)-1-hydroxy-3-methylurea
SMILESCNC(=O)N(O)c1ccc(Br)cc1
InChIInChI=1S/C8H9BrN2O2/c1-10-8(12)11(13)7-4-2-6(9)3-5-7/h2-5,13H,1H3,(H,10,12)
InChIKeyZWESVWIFYDYOCT-UHFFFAOYSA-N
XLogP1.98
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.08
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(4-bromophenyl)-1-hydroxy-3-methylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-bromophenyl)-N-hydroxypropanamide
CID 165357463
tert-butyl N-[4-bromo-N-(methylcarbamoyl)anilino]carbamate
CID 178109140
1-(4-bromophenyl)-3-methoxy-1-methylurea
CID 142707557
4-bromo-N-hydroxy-N-phenylbenzamide
CID 25115715
1-hydroxy-3-[2-[[hydroxy-(4-methylphenyl)carbamoyl]amino]ethyl]-1-(4-methylphenyl)urea
CID 5094867
N',N'-bis(4-bromophenyl)oxamide
CID 154267801
1-(7-bromo-9H-fluoren-2-yl)-3-methyl-1-sulfanylurea
CID 87759691
1-(5-bromo-2-methylphenyl)-1,3-dimethylurea
CID 115169063
ethyl 2-(4-bromo-N-methylanilino)acetate
CID 102265686
1-(4-bromophenyl)-3-[4-(dimethylamino)phenyl]urea
CID 100973286
1-(4-hydroxyphenyl)-1,3-dimethylurea
CID 115281222
1-[(5-bromo-2-methylphenyl)methyl]-1,3-dimethylurea
CID 115169289

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-1-hydroxy-3-methylurea?
The IUPAC name of 1-(4-bromophenyl)-1-hydroxy-3-methylurea (CID 15620447) is 1-(4-bromophenyl)-1-hydroxy-3-methylurea.
What is the SMILES notation for 1-(4-bromophenyl)-1-hydroxy-3-methylurea?
The canonical SMILES for 1-(4-bromophenyl)-1-hydroxy-3-methylurea is CNC(=O)N(O)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-1-hydroxy-3-methylurea?
The InChIKey is ZWESVWIFYDYOCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN2O2/c1-10-8(12)11(13)7-4-2-6(9)3-5-7/h2-5,13H,1H3,(H,10,12).
What are the key properties of 1-(4-bromophenyl)-1-hydroxy-3-methylurea?
1-(4-bromophenyl)-1-hydroxy-3-methylurea has a molecular weight of 245.08 g/mol, XLogP of 1.98, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-1-hydroxy-3-methylurea is sourced from PubChem (CID 15620447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).