3-(5-bromofuran-2-yl)-1-butyl-1-propylurea

C12H19BrN2O2 — CID 108872929

IUPAC3-(5-bromofuran-2-yl)-1-butyl-1-propylurea
SMILESCCCCN(CCC)C(=O)Nc1ccc(Br)o1
InChIInChI=1S/C12H19BrN2O2/c1-3-5-9-15(8-4-2)12(16)14-11-7-6-10(13)17-11/h6-7H,3-5,8-9H2,1-2H3,(H,14,16)
InChIKeySIJFIHDHODCZNW-UHFFFAOYSA-N
MW303.20 g/mol
LogP4.09
Rot. Bonds6

About 3-(5-bromofuran-2-yl)-1-butyl-1-propylurea

3-(5-bromofuran-2-yl)-1-butyl-1-propylurea (PubChem CID 108872929) has the molecular formula C12H19BrN2O2 and a molecular weight of 303.20 g/mol. Its IUPAC name is 3-(5-bromofuran-2-yl)-1-butyl-1-propylurea.

Molecular Properties

Compound Name3-(5-bromofuran-2-yl)-1-butyl-1-propylurea
PubChem CID108872929
Molecular FormulaC12H19BrN2O2
Molecular Weight303.20 g/mol
Exact Mass302.06
IUPAC Name3-(5-bromofuran-2-yl)-1-butyl-1-propylurea
SMILESCCCCN(CCC)C(=O)Nc1ccc(Br)o1
InChIInChI=1S/C12H19BrN2O2/c1-3-5-9-15(8-4-2)12(16)14-11-7-6-10(13)17-11/h6-7H,3-5,8-9H2,1-2H3,(H,14,16)
InChIKeySIJFIHDHODCZNW-UHFFFAOYSA-N
XLogP4.09
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.20
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(5-bromofuran-2-yl)-1-butyl-1-propylurea?
The IUPAC name of 3-(5-bromofuran-2-yl)-1-butyl-1-propylurea (CID 108872929) is 3-(5-bromofuran-2-yl)-1-butyl-1-propylurea.
What is the SMILES notation for 3-(5-bromofuran-2-yl)-1-butyl-1-propylurea?
The canonical SMILES for 3-(5-bromofuran-2-yl)-1-butyl-1-propylurea is CCCCN(CCC)C(=O)Nc1ccc(Br)o1.
What is the InChIKey of 3-(5-bromofuran-2-yl)-1-butyl-1-propylurea?
The InChIKey is SIJFIHDHODCZNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2O2/c1-3-5-9-15(8-4-2)12(16)14-11-7-6-10(13)17-11/h6-7H,3-5,8-9H2,1-2H3,(H,14,16).
What are the key properties of 3-(5-bromofuran-2-yl)-1-butyl-1-propylurea?
3-(5-bromofuran-2-yl)-1-butyl-1-propylurea has a molecular weight of 303.20 g/mol, XLogP of 4.09, 6 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-butyl-1-propylurea is sourced from PubChem (CID 108872929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).