1-(5-bromofuran-2-yl)-3-(2,4-dimethylphenyl)urea

C13H13BrN2O2 — CID 108872887

IUPAC1-(5-bromofuran-2-yl)-3-(2,4-dimethylphenyl)urea
SMILESCc1ccc(NC(=O)Nc2ccc(Br)o2)c(C)c1
InChIInChI=1S/C13H13BrN2O2/c1-8-3-4-10(9(2)7-8)15-13(17)16-12-6-5-11(14)18-12/h3-7H,1-2H3,(H2,15,16,17)
InChIKeyNXQAXLLBMMZJMI-UHFFFAOYSA-N
MW309.16 g/mol
LogP4.30
Rot. Bonds2

About 1-(5-bromofuran-2-yl)-3-(2,4-dimethylphenyl)urea

1-(5-bromofuran-2-yl)-3-(2,4-dimethylphenyl)urea (PubChem CID 108872887) has the molecular formula C13H13BrN2O2 and a molecular weight of 309.16 g/mol. Its IUPAC name is 1-(5-bromofuran-2-yl)-3-(2,4-dimethylphenyl)urea.

Molecular Properties

Compound Name1-(5-bromofuran-2-yl)-3-(2,4-dimethylphenyl)urea
PubChem CID108872887
Molecular FormulaC13H13BrN2O2
Molecular Weight309.16 g/mol
Exact Mass308.02
IUPAC Name1-(5-bromofuran-2-yl)-3-(2,4-dimethylphenyl)urea
SMILESCc1ccc(NC(=O)Nc2ccc(Br)o2)c(C)c1
InChIInChI=1S/C13H13BrN2O2/c1-8-3-4-10(9(2)7-8)15-13(17)16-12-6-5-11(14)18-12/h3-7H,1-2H3,(H2,15,16,17)
InChIKeyNXQAXLLBMMZJMI-UHFFFAOYSA-N
XLogP4.30
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.16
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(5-bromofuran-2-yl)-3-(2,4-dimethylphenyl)urea 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

1-(5-bromofuran-2-yl)-3-[4-(diethylamino)-2-methylphenyl]urea chloride
CID 108873063
1-(2-bromo-4-methylphenyl)-3-(2,4-dimethylphenyl)urea
CID 108991303
1-(5-bromofuran-2-yl)-3-(2,4-dimethoxyphenyl)urea
CID 108872949
1-(2,4-dimethylphenyl)-3-(2-sulfanylphenyl)urea
CID 108886354
1-(3-tert-butyl-1,2-oxazol-5-yl)-3-(2,4-dimethylphenyl)urea
CID 143051913
N,N'-bis(2,4-dimethylphenyl)oxamide
CID 3416969
1-(2,4-dimethylphenyl)-3-(4-propan-2-ylphenyl)urea
CID 108991287
2,4-dibromo-N-(2,4-dimethylphenyl)-3-oxobutanamide
CID 102494269
N-[1-(5-bromofuran-2-yl)ethyl]-2,4-dimethylaniline
CID 113437433
1-(5-bromofuran-2-yl)-3-[2-(3-methylphenyl)ethyl]urea
CID 108873114
2-[(2,4-dimethylphenyl)carbamoylamino]butanoic acid
CID 61187462
1-(2,4-dimethylphenyl)-3-(1-hydroxypropan-2-yl)urea
CID 110890301

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromofuran-2-yl)-3-(2,4-dimethylphenyl)urea?
The IUPAC name of 1-(5-bromofuran-2-yl)-3-(2,4-dimethylphenyl)urea (CID 108872887) is 1-(5-bromofuran-2-yl)-3-(2,4-dimethylphenyl)urea.
What is the SMILES notation for 1-(5-bromofuran-2-yl)-3-(2,4-dimethylphenyl)urea?
The canonical SMILES for 1-(5-bromofuran-2-yl)-3-(2,4-dimethylphenyl)urea is Cc1ccc(NC(=O)Nc2ccc(Br)o2)c(C)c1.
What is the InChIKey of 1-(5-bromofuran-2-yl)-3-(2,4-dimethylphenyl)urea?
The InChIKey is NXQAXLLBMMZJMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O2/c1-8-3-4-10(9(2)7-8)15-13(17)16-12-6-5-11(14)18-12/h3-7H,1-2H3,(H2,15,16,17).
What are the key properties of 1-(5-bromofuran-2-yl)-3-(2,4-dimethylphenyl)urea?
1-(5-bromofuran-2-yl)-3-(2,4-dimethylphenyl)urea has a molecular weight of 309.16 g/mol, XLogP of 4.30, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromofuran-2-yl)-3-(2,4-dimethylphenyl)urea is sourced from PubChem (CID 108872887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).