1-(5-chloro-2-fluorophenyl)-3-(2-thiophen-3-ylethenyl)urea

C13H10ClFN2OS — CID 2808817

IUPAC1-(5-chloro-2-fluorophenyl)-3-(2-thiophen-3-ylethenyl)urea
SMILESO=C(NC=Cc1ccsc1)Nc1cc(Cl)ccc1F
InChIInChI=1S/C13H10ClFN2OS/c14-10-1-2-11(15)12(7-10)17-13(18)16-5-3-9-4-6-19-8-9/h1-8H,(H2,16,17,18)
InChIKeyGWXABNZUXSTVMW-UHFFFAOYSA-N
MW296.75 g/mol
LogP4.33
Rot. Bonds3

About 1-(5-chloro-2-fluorophenyl)-3-(2-thiophen-3-ylethenyl)urea

1-(5-chloro-2-fluorophenyl)-3-(2-thiophen-3-ylethenyl)urea (PubChem CID 2808817) has the molecular formula C13H10ClFN2OS and a molecular weight of 296.75 g/mol. Its IUPAC name is 1-(5-chloro-2-fluorophenyl)-3-(2-thiophen-3-ylethenyl)urea.

Molecular Properties

Compound Name1-(5-chloro-2-fluorophenyl)-3-(2-thiophen-3-ylethenyl)urea
PubChem CID2808817
Molecular FormulaC13H10ClFN2OS
Molecular Weight296.75 g/mol
Exact Mass296.02
IUPAC Name1-(5-chloro-2-fluorophenyl)-3-(2-thiophen-3-ylethenyl)urea
SMILESO=C(NC=Cc1ccsc1)Nc1cc(Cl)ccc1F
InChIInChI=1S/C13H10ClFN2OS/c14-10-1-2-11(15)12(7-10)17-13(18)16-5-3-9-4-6-19-8-9/h1-8H,(H2,16,17,18)
InChIKeyGWXABNZUXSTVMW-UHFFFAOYSA-N
XLogP4.33
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.75
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-fluorophenyl)-3-(2-thiophen-3-ylethenyl)urea?
The IUPAC name of 1-(5-chloro-2-fluorophenyl)-3-(2-thiophen-3-ylethenyl)urea (CID 2808817) is 1-(5-chloro-2-fluorophenyl)-3-(2-thiophen-3-ylethenyl)urea.
What is the SMILES notation for 1-(5-chloro-2-fluorophenyl)-3-(2-thiophen-3-ylethenyl)urea?
The canonical SMILES for 1-(5-chloro-2-fluorophenyl)-3-(2-thiophen-3-ylethenyl)urea is O=C(NC=Cc1ccsc1)Nc1cc(Cl)ccc1F.
What is the InChIKey of 1-(5-chloro-2-fluorophenyl)-3-(2-thiophen-3-ylethenyl)urea?
The InChIKey is GWXABNZUXSTVMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClFN2OS/c14-10-1-2-11(15)12(7-10)17-13(18)16-5-3-9-4-6-19-8-9/h1-8H,(H2,16,17,18).
What are the key properties of 1-(5-chloro-2-fluorophenyl)-3-(2-thiophen-3-ylethenyl)urea?
1-(5-chloro-2-fluorophenyl)-3-(2-thiophen-3-ylethenyl)urea has a molecular weight of 296.75 g/mol, XLogP of 4.33, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-fluorophenyl)-3-(2-thiophen-3-ylethenyl)urea is sourced from PubChem (CID 2808817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).