1-(2,4-difluorophenyl)-3-[(E)-2-(4-fluorophenyl)ethenyl]urea

C15H11F3N2O — CID 108908226

IUPAC1-(2,4-difluorophenyl)-3-[(E)-2-(4-fluorophenyl)ethenyl]urea
SMILESO=C(N/C=C/c1ccc(F)cc1)Nc1ccc(F)cc1F
InChIInChI=1S/C15H11F3N2O/c16-11-3-1-10(2-4-11)7-8-19-15(21)20-14-6-5-12(17)9-13(14)18/h1-9H,(H2,19,20,21)/b8-7+
InChIKeySSZHUCILNMFXOT-BQYQJAHWSA-N
MW292.26 g/mol
LogP3.90
Rot. Bonds3

About 1-(2,4-difluorophenyl)-3-[(E)-2-(4-fluorophenyl)ethenyl]urea

1-(2,4-difluorophenyl)-3-[(E)-2-(4-fluorophenyl)ethenyl]urea (PubChem CID 108908226) has the molecular formula C15H11F3N2O and a molecular weight of 292.26 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-[(E)-2-(4-fluorophenyl)ethenyl]urea.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-[(E)-2-(4-fluorophenyl)ethenyl]urea
PubChem CID108908226
Molecular FormulaC15H11F3N2O
Molecular Weight292.26 g/mol
Exact Mass292.08
IUPAC Name1-(2,4-difluorophenyl)-3-[(E)-2-(4-fluorophenyl)ethenyl]urea
SMILESO=C(N/C=C/c1ccc(F)cc1)Nc1ccc(F)cc1F
InChIInChI=1S/C15H11F3N2O/c16-11-3-1-10(2-4-11)7-8-19-15(21)20-14-6-5-12(17)9-13(14)18/h1-9H,(H2,19,20,21)/b8-7+
InChIKeySSZHUCILNMFXOT-BQYQJAHWSA-N
XLogP3.90
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(5-chloro-2-methylphenyl)-3-[(E)-2-(4-fluorophenyl)ethenyl]urea
CID 108908002
1-(2,4-difluorophenyl)-3-(2-methylprop-1-enyl)urea
CID 108910070
1-[(E)-2-(4-fluorophenyl)ethenyl]-3-phenylurea
CID 108908068
1-(cyclopentylidenemethyl)-3-(2,4-difluorophenyl)urea
CID 108913742
1-[(E)-2-(4-methylphenyl)ethenyl]-3-(2,3,4-trifluorophenyl)urea
CID 108907476
1-(3,4-dichlorophenyl)-3-[(E)-2-(4-fluorophenyl)ethenyl]urea
CID 108907926
1-[(E)-2-(4-fluorophenyl)ethenyl]-3-(2-nitrophenyl)urea
CID 108907912
N-(2,4-difluorophenyl)-2-oxoacetamide
CID 115165918
methyl 2-[[(E)-2-(4-fluorophenyl)ethenyl]carbamoylamino]acetate
CID 108908234
1-(2,4-difluorophenyl)-3-(4-fluoro-2-methylphenyl)urea
CID 17263659
1-(2,4-difluorophenyl)-3-(2,3,4-trifluorophenyl)urea
CID 108892630
1-(2,4-difluorophenyl)-3-(3,5-difluorophenyl)urea
CID 46859669

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3-[(E)-2-(4-fluorophenyl)ethenyl]urea?
The IUPAC name of 1-(2,4-difluorophenyl)-3-[(E)-2-(4-fluorophenyl)ethenyl]urea (CID 108908226) is 1-(2,4-difluorophenyl)-3-[(E)-2-(4-fluorophenyl)ethenyl]urea.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3-[(E)-2-(4-fluorophenyl)ethenyl]urea?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-[(E)-2-(4-fluorophenyl)ethenyl]urea is O=C(N/C=C/c1ccc(F)cc1)Nc1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-3-[(E)-2-(4-fluorophenyl)ethenyl]urea?
The InChIKey is SSZHUCILNMFXOT-BQYQJAHWSA-N. The full InChI is InChI=1S/C15H11F3N2O/c16-11-3-1-10(2-4-11)7-8-19-15(21)20-14-6-5-12(17)9-13(14)18/h1-9H,(H2,19,20,21)/b8-7+.
What are the key properties of 1-(2,4-difluorophenyl)-3-[(E)-2-(4-fluorophenyl)ethenyl]urea?
1-(2,4-difluorophenyl)-3-[(E)-2-(4-fluorophenyl)ethenyl]urea has a molecular weight of 292.26 g/mol, XLogP of 3.90, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-3-[(E)-2-(4-fluorophenyl)ethenyl]urea is sourced from PubChem (CID 108908226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).