1-[1-(4-bromophenyl)ethyl]-1-hydroxyurea

C9H11BrN2O2 — CID 10634989

IUPAC1-[1-(4-bromophenyl)ethyl]-1-hydroxyurea
SMILESCC(c1ccc(Br)cc1)N(O)C(N)=O
InChIInChI=1S/C9H11BrN2O2/c1-6(12(14)9(11)13)7-2-4-8(10)5-3-7/h2-6,14H,1H3,(H2,11,13)
InChIKeySUDYOMXDYZZOTH-UHFFFAOYSA-N
MW259.10 g/mol
LogP2.28
Rot. Bonds2

About 1-[1-(4-bromophenyl)ethyl]-1-hydroxyurea

1-[1-(4-bromophenyl)ethyl]-1-hydroxyurea (PubChem CID 10634989) has the molecular formula C9H11BrN2O2 and a molecular weight of 259.10 g/mol. Its IUPAC name is 1-[1-(4-bromophenyl)ethyl]-1-hydroxyurea.

Molecular Properties

Compound Name1-[1-(4-bromophenyl)ethyl]-1-hydroxyurea
PubChem CID10634989
Molecular FormulaC9H11BrN2O2
Molecular Weight259.10 g/mol
Exact Mass258.00
IUPAC Name1-[1-(4-bromophenyl)ethyl]-1-hydroxyurea
SMILESCC(c1ccc(Br)cc1)N(O)C(N)=O
InChIInChI=1S/C9H11BrN2O2/c1-6(12(14)9(11)13)7-2-4-8(10)5-3-7/h2-6,14H,1H3,(H2,11,13)
InChIKeySUDYOMXDYZZOTH-UHFFFAOYSA-N
XLogP2.28
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.10
LogP ≤ 52.28
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-[1-(4-bromophenyl)ethyl]-1-hydroxyurea with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-bromophenyl)ethyl]-1-hydroxyurea?
The IUPAC name of 1-[1-(4-bromophenyl)ethyl]-1-hydroxyurea (CID 10634989) is 1-[1-(4-bromophenyl)ethyl]-1-hydroxyurea.
What is the SMILES notation for 1-[1-(4-bromophenyl)ethyl]-1-hydroxyurea?
The canonical SMILES for 1-[1-(4-bromophenyl)ethyl]-1-hydroxyurea is CC(c1ccc(Br)cc1)N(O)C(N)=O.
What is the InChIKey of 1-[1-(4-bromophenyl)ethyl]-1-hydroxyurea?
The InChIKey is SUDYOMXDYZZOTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2O2/c1-6(12(14)9(11)13)7-2-4-8(10)5-3-7/h2-6,14H,1H3,(H2,11,13).
What are the key properties of 1-[1-(4-bromophenyl)ethyl]-1-hydroxyurea?
1-[1-(4-bromophenyl)ethyl]-1-hydroxyurea has a molecular weight of 259.10 g/mol, XLogP of 2.28, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-bromophenyl)ethyl]-1-hydroxyurea is sourced from PubChem (CID 10634989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).