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

C13H13BrN2O4 — CID 108872949

IUPAC1-(5-bromofuran-2-yl)-3-(2,4-dimethoxyphenyl)urea
SMILESCOc1ccc(NC(=O)Nc2ccc(Br)o2)c(OC)c1
InChIInChI=1S/C13H13BrN2O4/c1-18-8-3-4-9(10(7-8)19-2)15-13(17)16-12-6-5-11(14)20-12/h3-7H,1-2H3,(H2,15,16,17)
InChIKeyBJPXESUAHURQDQ-UHFFFAOYSA-N
MW341.16 g/mol
LogP3.70
Rot. Bonds4

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

1-(5-bromofuran-2-yl)-3-(2,4-dimethoxyphenyl)urea (PubChem CID 108872949) has the molecular formula C13H13BrN2O4 and a molecular weight of 341.16 g/mol. Its IUPAC name is 1-(5-bromofuran-2-yl)-3-(2,4-dimethoxyphenyl)urea.

Molecular Properties

Compound Name1-(5-bromofuran-2-yl)-3-(2,4-dimethoxyphenyl)urea
PubChem CID108872949
Molecular FormulaC13H13BrN2O4
Molecular Weight341.16 g/mol
Exact Mass340.01
IUPAC Name1-(5-bromofuran-2-yl)-3-(2,4-dimethoxyphenyl)urea
SMILESCOc1ccc(NC(=O)Nc2ccc(Br)o2)c(OC)c1
InChIInChI=1S/C13H13BrN2O4/c1-18-8-3-4-9(10(7-8)19-2)15-13(17)16-12-6-5-11(14)20-12/h3-7H,1-2H3,(H2,15,16,17)
InChIKeyBJPXESUAHURQDQ-UHFFFAOYSA-N
XLogP3.70
TPSA72.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.16
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-dimethoxyphenyl)-3-(4-propan-2-ylphenyl)urea
CID 108991641
1-(2,4-dimethoxyphenyl)-3-(4-iodophenyl)urea
CID 2209592
N-(2,4-dimethoxyphenyl)-2,2-dimethylpropanamide
CID 3713993
1-cyano-3-(2,4-dimethoxyphenyl)urea
CID 20559814
(2R)-N-(2,4-dimethoxyphenyl)-2-phenylpropanamide
CID 97038174
1-(2,4-dimethoxyphenyl)-3-[(E)-3-methylbut-1-enyl]urea
CID 108911046
dimethyl 2-[(5-bromofuran-2-yl)carbamoylamino]benzene-1,4-dicarboxylate
CID 108872954
1-(2,4-dimethoxyphenyl)-3-(propan-2-ylideneamino)urea
CID 11988328
(2S)-2-amino-N-(2,4-dimethoxyphenyl)-3,3-dimethylbutanamide
CID 61148145
1-(2,4-dimethoxyphenyl)-3-[(2S)-1-methoxypropan-2-yl]urea
CID 94812273
(2R)-2-[(2,4-dimethoxyphenyl)carbamoylamino]-3-methylbutanoic acid
CID 79009289
N-(2,4-dimethoxyphenyl)-2-methyl-3-(methylamino)propanamide
CID 79195727

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromofuran-2-yl)-3-(2,4-dimethoxyphenyl)urea?
The IUPAC name of 1-(5-bromofuran-2-yl)-3-(2,4-dimethoxyphenyl)urea (CID 108872949) is 1-(5-bromofuran-2-yl)-3-(2,4-dimethoxyphenyl)urea.
What is the SMILES notation for 1-(5-bromofuran-2-yl)-3-(2,4-dimethoxyphenyl)urea?
The canonical SMILES for 1-(5-bromofuran-2-yl)-3-(2,4-dimethoxyphenyl)urea is COc1ccc(NC(=O)Nc2ccc(Br)o2)c(OC)c1.
What is the InChIKey of 1-(5-bromofuran-2-yl)-3-(2,4-dimethoxyphenyl)urea?
The InChIKey is BJPXESUAHURQDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O4/c1-18-8-3-4-9(10(7-8)19-2)15-13(17)16-12-6-5-11(14)20-12/h3-7H,1-2H3,(H2,15,16,17).
What are the key properties of 1-(5-bromofuran-2-yl)-3-(2,4-dimethoxyphenyl)urea?
1-(5-bromofuran-2-yl)-3-(2,4-dimethoxyphenyl)urea has a molecular weight of 341.16 g/mol, XLogP of 3.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromofuran-2-yl)-3-(2,4-dimethoxyphenyl)urea is sourced from PubChem (CID 108872949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).