1-(4-bromophenyl)-3-butan-2-ylurea

C11H15BrN2O — CID 6470273

IUPAC1-(4-bromophenyl)-3-butan-2-ylurea
SMILESCCC(C)NC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C11H15BrN2O/c1-3-8(2)13-11(15)14-10-6-4-9(12)5-7-10/h4-8H,3H2,1-2H3,(H2,13,14,15)
InChIKeyWPWFESCLCLMBSP-UHFFFAOYSA-N
MW271.16 g/mol
LogP3.37
Rot. Bonds3

About 1-(4-bromophenyl)-3-butan-2-ylurea

1-(4-bromophenyl)-3-butan-2-ylurea (PubChem CID 6470273) has the molecular formula C11H15BrN2O and a molecular weight of 271.16 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-butan-2-ylurea.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-butan-2-ylurea
PubChem CID6470273
Molecular FormulaC11H15BrN2O
Molecular Weight271.16 g/mol
Exact Mass270.04
IUPAC Name1-(4-bromophenyl)-3-butan-2-ylurea
SMILESCCC(C)NC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C11H15BrN2O/c1-3-8(2)13-11(15)14-10-6-4-9(12)5-7-10/h4-8H,3H2,1-2H3,(H2,13,14,15)
InChIKeyWPWFESCLCLMBSP-UHFFFAOYSA-N
XLogP3.37
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.16
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 1-(4-bromophenyl)-3-butan-2-ylurea 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-butan-2-ylurea?
The IUPAC name of 1-(4-bromophenyl)-3-butan-2-ylurea (CID 6470273) is 1-(4-bromophenyl)-3-butan-2-ylurea.
What is the SMILES notation for 1-(4-bromophenyl)-3-butan-2-ylurea?
The canonical SMILES for 1-(4-bromophenyl)-3-butan-2-ylurea is CCC(C)NC(=O)Nc1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-3-butan-2-ylurea?
The InChIKey is WPWFESCLCLMBSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O/c1-3-8(2)13-11(15)14-10-6-4-9(12)5-7-10/h4-8H,3H2,1-2H3,(H2,13,14,15).
What are the key properties of 1-(4-bromophenyl)-3-butan-2-ylurea?
1-(4-bromophenyl)-3-butan-2-ylurea has a molecular weight of 271.16 g/mol, XLogP of 3.37, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-butan-2-ylurea is sourced from PubChem (CID 6470273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).