1-[2-(5-bromothiophen-2-yl)ethyl]-3-[2-(2-fluorophenyl)ethyl]urea

C15H16BrFN2OS — CID 30691281

IUPAC1-[2-(5-bromothiophen-2-yl)ethyl]-3-[2-(2-fluorophenyl)ethyl]urea
SMILESO=C(NCCc1ccc(Br)s1)NCCc1ccccc1F
InChIInChI=1S/C15H16BrFN2OS/c16-14-6-5-12(21-14)8-10-19-15(20)18-9-7-11-3-1-2-4-13(11)17/h1-6H,7-10H2,(H2,18,19,20)
InChIKeyBXWBRYUEYFOFRH-UHFFFAOYSA-N
MW371.28 g/mol
LogP3.73
Rot. Bonds6

About 1-[2-(5-bromothiophen-2-yl)ethyl]-3-[2-(2-fluorophenyl)ethyl]urea

1-[2-(5-bromothiophen-2-yl)ethyl]-3-[2-(2-fluorophenyl)ethyl]urea (PubChem CID 30691281) has the molecular formula C15H16BrFN2OS and a molecular weight of 371.28 g/mol. Its IUPAC name is 1-[2-(5-bromothiophen-2-yl)ethyl]-3-[2-(2-fluorophenyl)ethyl]urea.

Molecular Properties

Compound Name1-[2-(5-bromothiophen-2-yl)ethyl]-3-[2-(2-fluorophenyl)ethyl]urea
PubChem CID30691281
Molecular FormulaC15H16BrFN2OS
Molecular Weight371.28 g/mol
Exact Mass370.02
IUPAC Name1-[2-(5-bromothiophen-2-yl)ethyl]-3-[2-(2-fluorophenyl)ethyl]urea
SMILESO=C(NCCc1ccc(Br)s1)NCCc1ccccc1F
InChIInChI=1S/C15H16BrFN2OS/c16-14-6-5-12(21-14)8-10-19-15(20)18-9-7-11-3-1-2-4-13(11)17/h1-6H,7-10H2,(H2,18,19,20)
InChIKeyBXWBRYUEYFOFRH-UHFFFAOYSA-N
XLogP3.73
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.28
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-bromothiophen-2-yl)ethyl]-3-[2-(2-fluorophenyl)ethyl]urea?
The IUPAC name of 1-[2-(5-bromothiophen-2-yl)ethyl]-3-[2-(2-fluorophenyl)ethyl]urea (CID 30691281) is 1-[2-(5-bromothiophen-2-yl)ethyl]-3-[2-(2-fluorophenyl)ethyl]urea.
What is the SMILES notation for 1-[2-(5-bromothiophen-2-yl)ethyl]-3-[2-(2-fluorophenyl)ethyl]urea?
The canonical SMILES for 1-[2-(5-bromothiophen-2-yl)ethyl]-3-[2-(2-fluorophenyl)ethyl]urea is O=C(NCCc1ccc(Br)s1)NCCc1ccccc1F.
What is the InChIKey of 1-[2-(5-bromothiophen-2-yl)ethyl]-3-[2-(2-fluorophenyl)ethyl]urea?
The InChIKey is BXWBRYUEYFOFRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrFN2OS/c16-14-6-5-12(21-14)8-10-19-15(20)18-9-7-11-3-1-2-4-13(11)17/h1-6H,7-10H2,(H2,18,19,20).
What are the key properties of 1-[2-(5-bromothiophen-2-yl)ethyl]-3-[2-(2-fluorophenyl)ethyl]urea?
1-[2-(5-bromothiophen-2-yl)ethyl]-3-[2-(2-fluorophenyl)ethyl]urea has a molecular weight of 371.28 g/mol, XLogP of 3.73, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-bromothiophen-2-yl)ethyl]-3-[2-(2-fluorophenyl)ethyl]urea is sourced from PubChem (CID 30691281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).