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

C15H12BrFN2O — CID 108906048

IUPAC1-(4-bromophenyl)-3-[(E)-2-(3-fluorophenyl)ethenyl]urea
SMILESO=C(N/C=C/c1cccc(F)c1)Nc1ccc(Br)cc1
InChIInChI=1S/C15H12BrFN2O/c16-12-4-6-14(7-5-12)19-15(20)18-9-8-11-2-1-3-13(17)10-11/h1-10H,(H2,18,19,20)/b9-8+
InChIKeyOMJQAHIMOHRYOY-CMDGGOBGSA-N
MW335.18 g/mol
LogP4.38
Rot. Bonds3

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

1-(4-bromophenyl)-3-[(E)-2-(3-fluorophenyl)ethenyl]urea (PubChem CID 108906048) has the molecular formula C15H12BrFN2O and a molecular weight of 335.18 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-[(E)-2-(3-fluorophenyl)ethenyl]urea.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-[(E)-2-(3-fluorophenyl)ethenyl]urea
PubChem CID108906048
Molecular FormulaC15H12BrFN2O
Molecular Weight335.18 g/mol
Exact Mass334.01
IUPAC Name1-(4-bromophenyl)-3-[(E)-2-(3-fluorophenyl)ethenyl]urea
SMILESO=C(N/C=C/c1cccc(F)c1)Nc1ccc(Br)cc1
InChIInChI=1S/C15H12BrFN2O/c16-12-4-6-14(7-5-12)19-15(20)18-9-8-11-2-1-3-13(17)10-11/h1-10H,(H2,18,19,20)/b9-8+
InChIKeyOMJQAHIMOHRYOY-CMDGGOBGSA-N
XLogP4.38
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.18
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-(dimethylamino)phenyl]-3-[(E)-2-(3-fluorophenyl)ethenyl]urea
CID 108906262
2-[4-[[(E)-2-(3-fluorophenyl)ethenyl]carbamoylamino]phenyl]acetic acid
CID 108906208
1-[(E)-2-(3-fluorophenyl)ethenyl]-3-(3-hydroxyphenyl)urea
CID 108906051
1-(4-ethoxyphenyl)-3-[(E)-2-(3-fluorophenyl)ethenyl]urea
CID 108906155
1-(3-fluorophenyl)-3-[(E)-2-phenylethenyl]urea
CID 108903344
1-(4-amino-3-chlorophenyl)-3-[(E)-2-(3-fluorophenyl)ethenyl]urea
CID 108906166
ethyl 4-[[(E)-2-(3-fluorophenyl)ethenyl]carbamoylamino]benzoate
CID 108906070
4-[[(E)-2-(3-bromophenyl)ethenyl]carbamoylamino]benzenesulfonic acid
CID 108906803
1-(4-acetylphenyl)-3-[(E)-2-(4-bromophenyl)ethenyl]urea
CID 108908760
1-[(E)-2-(4-bromophenyl)ethenyl]-3-(4-methylphenyl)urea
CID 108908655
1-[(E)-2-(4-bromophenyl)ethenyl]-3-(3-hydroxyphenyl)urea
CID 108908654
1-[(E)-2-(4-bromophenyl)ethenyl]-3-(4-ethylphenyl)urea
CID 108908815

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-[(E)-2-(3-fluorophenyl)ethenyl]urea?
The IUPAC name of 1-(4-bromophenyl)-3-[(E)-2-(3-fluorophenyl)ethenyl]urea (CID 108906048) is 1-(4-bromophenyl)-3-[(E)-2-(3-fluorophenyl)ethenyl]urea.
What is the SMILES notation for 1-(4-bromophenyl)-3-[(E)-2-(3-fluorophenyl)ethenyl]urea?
The canonical SMILES for 1-(4-bromophenyl)-3-[(E)-2-(3-fluorophenyl)ethenyl]urea is O=C(N/C=C/c1cccc(F)c1)Nc1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-3-[(E)-2-(3-fluorophenyl)ethenyl]urea?
The InChIKey is OMJQAHIMOHRYOY-CMDGGOBGSA-N. The full InChI is InChI=1S/C15H12BrFN2O/c16-12-4-6-14(7-5-12)19-15(20)18-9-8-11-2-1-3-13(17)10-11/h1-10H,(H2,18,19,20)/b9-8+.
What are the key properties of 1-(4-bromophenyl)-3-[(E)-2-(3-fluorophenyl)ethenyl]urea?
1-(4-bromophenyl)-3-[(E)-2-(3-fluorophenyl)ethenyl]urea has a molecular weight of 335.18 g/mol, XLogP of 4.38, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-[(E)-2-(3-fluorophenyl)ethenyl]urea is sourced from PubChem (CID 108906048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).