1-(2-bromo-4,6-difluorophenyl)-3-thiophen-2-ylurea

C11H7BrF2N2OS — CID 12004851

IUPAC1-(2-bromo-4,6-difluorophenyl)-3-thiophen-2-ylurea
SMILESO=C(Nc1cccs1)Nc1c(F)cc(F)cc1Br
InChIInChI=1S/C11H7BrF2N2OS/c12-7-4-6(13)5-8(14)10(7)16-11(17)15-9-2-1-3-18-9/h1-5H,(H2,15,16,17)
InChIKeyAZDYDESVHSCJBQ-UHFFFAOYSA-N
MW333.16 g/mol
LogP4.43
Rot. Bonds2

About 1-(2-bromo-4,6-difluorophenyl)-3-thiophen-2-ylurea

1-(2-bromo-4,6-difluorophenyl)-3-thiophen-2-ylurea (PubChem CID 12004851) has the molecular formula C11H7BrF2N2OS and a molecular weight of 333.16 g/mol. Its IUPAC name is 1-(2-bromo-4,6-difluorophenyl)-3-thiophen-2-ylurea.

Molecular Properties

Compound Name1-(2-bromo-4,6-difluorophenyl)-3-thiophen-2-ylurea
PubChem CID12004851
Molecular FormulaC11H7BrF2N2OS
Molecular Weight333.16 g/mol
Exact Mass331.94
IUPAC Name1-(2-bromo-4,6-difluorophenyl)-3-thiophen-2-ylurea
SMILESO=C(Nc1cccs1)Nc1c(F)cc(F)cc1Br
InChIInChI=1S/C11H7BrF2N2OS/c12-7-4-6(13)5-8(14)10(7)16-11(17)15-9-2-1-3-18-9/h1-5H,(H2,15,16,17)
InChIKeyAZDYDESVHSCJBQ-UHFFFAOYSA-N
XLogP4.43
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.16
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4,6-difluorophenyl)-3-thiophen-2-ylurea?
The IUPAC name of 1-(2-bromo-4,6-difluorophenyl)-3-thiophen-2-ylurea (CID 12004851) is 1-(2-bromo-4,6-difluorophenyl)-3-thiophen-2-ylurea.
What is the SMILES notation for 1-(2-bromo-4,6-difluorophenyl)-3-thiophen-2-ylurea?
The canonical SMILES for 1-(2-bromo-4,6-difluorophenyl)-3-thiophen-2-ylurea is O=C(Nc1cccs1)Nc1c(F)cc(F)cc1Br.
What is the InChIKey of 1-(2-bromo-4,6-difluorophenyl)-3-thiophen-2-ylurea?
The InChIKey is AZDYDESVHSCJBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrF2N2OS/c12-7-4-6(13)5-8(14)10(7)16-11(17)15-9-2-1-3-18-9/h1-5H,(H2,15,16,17).
What are the key properties of 1-(2-bromo-4,6-difluorophenyl)-3-thiophen-2-ylurea?
1-(2-bromo-4,6-difluorophenyl)-3-thiophen-2-ylurea has a molecular weight of 333.16 g/mol, XLogP of 4.43, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4,6-difluorophenyl)-3-thiophen-2-ylurea is sourced from PubChem (CID 12004851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).