1-(4-bromophenyl)-3-phenylurea

C13H11BrN2O — CID 598833

IUPAC1-(4-bromophenyl)-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1ccc(Br)cc1
InChIInChI=1S/C13H11BrN2O/c14-10-6-8-12(9-7-10)16-13(17)15-11-4-2-1-3-5-11/h1-9H,(H2,15,16,17)
InChIKeyCWTGISFTGLOJOL-UHFFFAOYSA-N
MW291.15 g/mol
LogP4.09
Rot. Bonds2

About 1-(4-bromophenyl)-3-phenylurea

1-(4-bromophenyl)-3-phenylurea (PubChem CID 598833) has the molecular formula C13H11BrN2O and a molecular weight of 291.15 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-phenylurea.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-phenylurea
PubChem CID598833
Molecular FormulaC13H11BrN2O
Molecular Weight291.15 g/mol
Exact Mass290.01
IUPAC Name1-(4-bromophenyl)-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1ccc(Br)cc1
InChIInChI=1S/C13H11BrN2O/c14-10-6-8-12(9-7-10)16-13(17)15-11-4-2-1-3-5-11/h1-9H,(H2,15,16,17)
InChIKeyCWTGISFTGLOJOL-UHFFFAOYSA-N
XLogP4.09
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.15
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 1-(4-bromophenyl)-3-phenylurea 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-(4-bromophenyl)-3-phenylurea?
The IUPAC name of 1-(4-bromophenyl)-3-phenylurea (CID 598833) is 1-(4-bromophenyl)-3-phenylurea.
What is the SMILES notation for 1-(4-bromophenyl)-3-phenylurea?
The canonical SMILES for 1-(4-bromophenyl)-3-phenylurea is O=C(Nc1ccccc1)Nc1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-3-phenylurea?
The InChIKey is CWTGISFTGLOJOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN2O/c14-10-6-8-12(9-7-10)16-13(17)15-11-4-2-1-3-5-11/h1-9H,(H2,15,16,17).
What are the key properties of 1-(4-bromophenyl)-3-phenylurea?
1-(4-bromophenyl)-3-phenylurea has a molecular weight of 291.15 g/mol, XLogP of 4.09, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-phenylurea is sourced from PubChem (CID 598833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).