1-(2-bromophenyl)-3-(2-hydroxyphenyl)urea

C13H11BrN2O2 — CID 21184748

IUPAC1-(2-bromophenyl)-3-(2-hydroxyphenyl)urea
SMILESO=C(Nc1ccccc1O)Nc1ccccc1Br
InChIInChI=1S/C13H11BrN2O2/c14-9-5-1-2-6-10(9)15-13(18)16-11-7-3-4-8-12(11)17/h1-8,17H,(H2,15,16,18)
InChIKeyXDJSETLIIYOAOI-UHFFFAOYSA-N
MW307.15 g/mol
LogP3.80
Rot. Bonds2

About 1-(2-bromophenyl)-3-(2-hydroxyphenyl)urea

1-(2-bromophenyl)-3-(2-hydroxyphenyl)urea (PubChem CID 21184748) has the molecular formula C13H11BrN2O2 and a molecular weight of 307.15 g/mol. Its IUPAC name is 1-(2-bromophenyl)-3-(2-hydroxyphenyl)urea.

Molecular Properties

Compound Name1-(2-bromophenyl)-3-(2-hydroxyphenyl)urea
PubChem CID21184748
Molecular FormulaC13H11BrN2O2
Molecular Weight307.15 g/mol
Exact Mass306.00
IUPAC Name1-(2-bromophenyl)-3-(2-hydroxyphenyl)urea
SMILESO=C(Nc1ccccc1O)Nc1ccccc1Br
InChIInChI=1S/C13H11BrN2O2/c14-9-5-1-2-6-10(9)15-13(18)16-11-7-3-4-8-12(11)17/h1-8,17H,(H2,15,16,18)
InChIKeyXDJSETLIIYOAOI-UHFFFAOYSA-N
XLogP3.80
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.15
LogP ≤ 53.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze 1-(2-bromophenyl)-3-(2-hydroxyphenyl)urea 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-(2-bromophenyl)-3-(2-hydroxyphenyl)urea?
The IUPAC name of 1-(2-bromophenyl)-3-(2-hydroxyphenyl)urea (CID 21184748) is 1-(2-bromophenyl)-3-(2-hydroxyphenyl)urea.
What is the SMILES notation for 1-(2-bromophenyl)-3-(2-hydroxyphenyl)urea?
The canonical SMILES for 1-(2-bromophenyl)-3-(2-hydroxyphenyl)urea is O=C(Nc1ccccc1O)Nc1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-3-(2-hydroxyphenyl)urea?
The InChIKey is XDJSETLIIYOAOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN2O2/c14-9-5-1-2-6-10(9)15-13(18)16-11-7-3-4-8-12(11)17/h1-8,17H,(H2,15,16,18).
What are the key properties of 1-(2-bromophenyl)-3-(2-hydroxyphenyl)urea?
1-(2-bromophenyl)-3-(2-hydroxyphenyl)urea has a molecular weight of 307.15 g/mol, XLogP of 3.80, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-3-(2-hydroxyphenyl)urea is sourced from PubChem (CID 21184748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).