3-(5-bromofuran-2-yl)-1,1-diethylurea

C9H13BrN2O2 — CID 108872969

IUPAC3-(5-bromofuran-2-yl)-1,1-diethylurea
SMILESCCN(CC)C(=O)Nc1ccc(Br)o1
InChIInChI=1S/C9H13BrN2O2/c1-3-12(4-2)9(13)11-8-6-5-7(10)14-8/h5-6H,3-4H2,1-2H3,(H,11,13)
InChIKeyRCTFWYJYXHCNDT-UHFFFAOYSA-N
MW261.12 g/mol
LogP2.92
Rot. Bonds3

About 3-(5-bromofuran-2-yl)-1,1-diethylurea

3-(5-bromofuran-2-yl)-1,1-diethylurea (PubChem CID 108872969) has the molecular formula C9H13BrN2O2 and a molecular weight of 261.12 g/mol. Its IUPAC name is 3-(5-bromofuran-2-yl)-1,1-diethylurea.

Molecular Properties

Compound Name3-(5-bromofuran-2-yl)-1,1-diethylurea
PubChem CID108872969
Molecular FormulaC9H13BrN2O2
Molecular Weight261.12 g/mol
Exact Mass260.02
IUPAC Name3-(5-bromofuran-2-yl)-1,1-diethylurea
SMILESCCN(CC)C(=O)Nc1ccc(Br)o1
InChIInChI=1S/C9H13BrN2O2/c1-3-12(4-2)9(13)11-8-6-5-7(10)14-8/h5-6H,3-4H2,1-2H3,(H,11,13)
InChIKeyRCTFWYJYXHCNDT-UHFFFAOYSA-N
XLogP2.92
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.12
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(5-bromofuran-2-yl)-1-butyl-1-propylurea
CID 108872929
2-[1-(5-bromofuran-2-yl)ethylamino]-N,N-diethylpropanamide
CID 104652645
N-[2-[(5-bromofuran-2-yl)carbamoylamino]ethyl]acetamide
CID 108873033
1-(5-bromofuran-2-yl)-3-(1-hydroxy-2-methylpropan-2-yl)urea
CID 108873091
5-bromo-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]furan-2-carboxamide
CID 18155632
1-(5-bromofuran-2-yl)-3-(2,4-dimethylphenyl)urea
CID 108872887
5-bromo-N-(2-bromoethyl)-N-ethylfuran-2-carboxamide
CID 80660635
3-(4-bromo-2-ethylphenyl)-1,1-diethylurea
CID 81003513
3-(5-bromofuran-2-yl)-N,N-diethylprop-2-enamide
CID 76872023
3-(3-amino-4-bromophenyl)-1,1-diethylurea
CID 79767901
1-(5-bromofuran-2-yl)-3-(3-butoxypropyl)urea
CID 108872832
N-(5-bromofuran-2-yl)-2-methylpiperidine-1-carboxamide
CID 108872945

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromofuran-2-yl)-1,1-diethylurea?
The IUPAC name of 3-(5-bromofuran-2-yl)-1,1-diethylurea (CID 108872969) is 3-(5-bromofuran-2-yl)-1,1-diethylurea.
What is the SMILES notation for 3-(5-bromofuran-2-yl)-1,1-diethylurea?
The canonical SMILES for 3-(5-bromofuran-2-yl)-1,1-diethylurea is CCN(CC)C(=O)Nc1ccc(Br)o1.
What is the InChIKey of 3-(5-bromofuran-2-yl)-1,1-diethylurea?
The InChIKey is RCTFWYJYXHCNDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2O2/c1-3-12(4-2)9(13)11-8-6-5-7(10)14-8/h5-6H,3-4H2,1-2H3,(H,11,13).
What are the key properties of 3-(5-bromofuran-2-yl)-1,1-diethylurea?
3-(5-bromofuran-2-yl)-1,1-diethylurea has a molecular weight of 261.12 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromofuran-2-yl)-1,1-diethylurea is sourced from PubChem (CID 108872969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).