1-(4-bromo-2-fluorophenyl)-3-thiophen-2-ylurea

C11H8BrFN2OS — CID 12005039

IUPAC1-(4-bromo-2-fluorophenyl)-3-thiophen-2-ylurea
SMILESO=C(Nc1cccs1)Nc1ccc(Br)cc1F
InChIInChI=1S/C11H8BrFN2OS/c12-7-3-4-9(8(13)6-7)14-11(16)15-10-2-1-5-17-10/h1-6H,(H2,14,15,16)
InChIKeyVXHCBMYDGSQTFB-UHFFFAOYSA-N
MW315.17 g/mol
LogP4.29
Rot. Bonds2

About 1-(4-bromo-2-fluorophenyl)-3-thiophen-2-ylurea

1-(4-bromo-2-fluorophenyl)-3-thiophen-2-ylurea (PubChem CID 12005039) has the molecular formula C11H8BrFN2OS and a molecular weight of 315.17 g/mol. Its IUPAC name is 1-(4-bromo-2-fluorophenyl)-3-thiophen-2-ylurea.

Molecular Properties

Compound Name1-(4-bromo-2-fluorophenyl)-3-thiophen-2-ylurea
PubChem CID12005039
Molecular FormulaC11H8BrFN2OS
Molecular Weight315.17 g/mol
Exact Mass313.95
IUPAC Name1-(4-bromo-2-fluorophenyl)-3-thiophen-2-ylurea
SMILESO=C(Nc1cccs1)Nc1ccc(Br)cc1F
InChIInChI=1S/C11H8BrFN2OS/c12-7-3-4-9(8(13)6-7)14-11(16)15-10-2-1-5-17-10/h1-6H,(H2,14,15,16)
InChIKeyVXHCBMYDGSQTFB-UHFFFAOYSA-N
XLogP4.29
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.17
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-fluorophenyl)-3-thiophen-2-ylurea?
The IUPAC name of 1-(4-bromo-2-fluorophenyl)-3-thiophen-2-ylurea (CID 12005039) is 1-(4-bromo-2-fluorophenyl)-3-thiophen-2-ylurea.
What is the SMILES notation for 1-(4-bromo-2-fluorophenyl)-3-thiophen-2-ylurea?
The canonical SMILES for 1-(4-bromo-2-fluorophenyl)-3-thiophen-2-ylurea is O=C(Nc1cccs1)Nc1ccc(Br)cc1F.
What is the InChIKey of 1-(4-bromo-2-fluorophenyl)-3-thiophen-2-ylurea?
The InChIKey is VXHCBMYDGSQTFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrFN2OS/c12-7-3-4-9(8(13)6-7)14-11(16)15-10-2-1-5-17-10/h1-6H,(H2,14,15,16).
What are the key properties of 1-(4-bromo-2-fluorophenyl)-3-thiophen-2-ylurea?
1-(4-bromo-2-fluorophenyl)-3-thiophen-2-ylurea has a molecular weight of 315.17 g/mol, XLogP of 4.29, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-fluorophenyl)-3-thiophen-2-ylurea is sourced from PubChem (CID 12005039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).