2-(5-bromofuran-2-yl)ethylurea

C7H9BrN2O2 — CID 131153537

IUPAC2-(5-bromofuran-2-yl)ethylurea
SMILESNC(=O)NCCc1ccc(Br)o1
InChIInChI=1S/C7H9BrN2O2/c8-6-2-1-5(12-6)3-4-10-7(9)11/h1-2H,3-4H2,(H3,9,10,11)
InChIKeyVZICTNWHZCDGQV-UHFFFAOYSA-N
MW233.06 g/mol
LogP1.25
Rot. Bonds3

About 2-(5-bromofuran-2-yl)ethylurea

2-(5-bromofuran-2-yl)ethylurea (PubChem CID 131153537) has the molecular formula C7H9BrN2O2 and a molecular weight of 233.06 g/mol. Its IUPAC name is 2-(5-bromofuran-2-yl)ethylurea.

Molecular Properties

Compound Name2-(5-bromofuran-2-yl)ethylurea
PubChem CID131153537
Molecular FormulaC7H9BrN2O2
Molecular Weight233.06 g/mol
Exact Mass231.98
IUPAC Name2-(5-bromofuran-2-yl)ethylurea
SMILESNC(=O)NCCc1ccc(Br)o1
InChIInChI=1S/C7H9BrN2O2/c8-6-2-1-5(12-6)3-4-10-7(9)11/h1-2H,3-4H2,(H3,9,10,11)
InChIKeyVZICTNWHZCDGQV-UHFFFAOYSA-N
XLogP1.25
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.06
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(5-bromofuran-2-yl)methylamino]acetamide
CID 16790036
N-[2-(5-bromofuran-2-yl)ethyl]propan-2-amine
CID 64866203
2-[(5-bromofuran-2-yl)methylamino]-2-oxoacetic acid
CID 131209047
N-[2-(5-bromofuran-2-yl)ethyl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide
CID 86771100
N-(3-amino-3-sulfanylidenepropyl)-5-bromofuran-2-carboxamide
CID 62665925
1-[(5-bromofuran-2-yl)methyl]-1-methylurea
CID 131134231
2-bromo-5-(2-chloroethyl)furan
CID 64867320
5-bromo-N-(2-hydrazinyl-2-oxoethyl)furan-2-carboxamide
CID 10378007
(5-bromofuran-2-yl)methyl carbonochloridate
CID 83824718
3-[(5-bromofuran-2-yl)methylamino]-N,N-dimethylpropanamide
CID 60926484
5-bromofuran-2-carboxamide;hydrochloride
CID 175240071
N-[2-(5-bromofuran-2-yl)ethyl]-2-methylbutan-1-amine
CID 115887947

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromofuran-2-yl)ethylurea?
The IUPAC name of 2-(5-bromofuran-2-yl)ethylurea (CID 131153537) is 2-(5-bromofuran-2-yl)ethylurea.
What is the SMILES notation for 2-(5-bromofuran-2-yl)ethylurea?
The canonical SMILES for 2-(5-bromofuran-2-yl)ethylurea is NC(=O)NCCc1ccc(Br)o1.
What is the InChIKey of 2-(5-bromofuran-2-yl)ethylurea?
The InChIKey is VZICTNWHZCDGQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrN2O2/c8-6-2-1-5(12-6)3-4-10-7(9)11/h1-2H,3-4H2,(H3,9,10,11).
What are the key properties of 2-(5-bromofuran-2-yl)ethylurea?
2-(5-bromofuran-2-yl)ethylurea has a molecular weight of 233.06 g/mol, XLogP of 1.25, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromofuran-2-yl)ethylurea is sourced from PubChem (CID 131153537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).