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

C15H12ClFN2O — CID 108904209

IUPAC1-(2-chlorophenyl)-3-[(E)-2-(2-fluorophenyl)ethenyl]urea
SMILESO=C(N/C=C/c1ccccc1F)Nc1ccccc1Cl
InChIInChI=1S/C15H12ClFN2O/c16-12-6-2-4-8-14(12)19-15(20)18-10-9-11-5-1-3-7-13(11)17/h1-10H,(H2,18,19,20)/b10-9+
InChIKeyMWBWHKCBMWGCLW-MDZDMXLPSA-N
MW290.73 g/mol
LogP4.27
Rot. Bonds3

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

1-(2-chlorophenyl)-3-[(E)-2-(2-fluorophenyl)ethenyl]urea (PubChem CID 108904209) has the molecular formula C15H12ClFN2O and a molecular weight of 290.73 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-[(E)-2-(2-fluorophenyl)ethenyl]urea.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-[(E)-2-(2-fluorophenyl)ethenyl]urea
PubChem CID108904209
Molecular FormulaC15H12ClFN2O
Molecular Weight290.73 g/mol
Exact Mass290.06
IUPAC Name1-(2-chlorophenyl)-3-[(E)-2-(2-fluorophenyl)ethenyl]urea
SMILESO=C(N/C=C/c1ccccc1F)Nc1ccccc1Cl
InChIInChI=1S/C15H12ClFN2O/c16-12-6-2-4-8-14(12)19-15(20)18-10-9-11-5-1-3-7-13(11)17/h1-10H,(H2,18,19,20)/b10-9+
InChIKeyMWBWHKCBMWGCLW-MDZDMXLPSA-N
XLogP4.27
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.73
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-amino-2-chlorophenyl)-3-[(E)-2-(2-fluorophenyl)ethenyl]urea
CID 108904303
1-(2,3-dimethylphenyl)-3-[(E)-2-(2-fluorophenyl)ethenyl]urea
CID 108904298
1-(3-chloro-4-fluorophenyl)-3-[(E)-2-(2-fluorophenyl)ethenyl]urea
CID 108904433
1-(4-chloro-2-methoxy-5-methylphenyl)-3-[(E)-2-(2-fluorophenyl)ethenyl]urea
CID 108904481
1-(2-bromophenyl)-3-[(E)-2-(2-chlorophenyl)ethenyl]urea
CID 108904832
1-(2-butan-2-ylphenyl)-3-[(E)-2-(2-fluorophenyl)ethenyl]urea
CID 108904492
1-[(E)-2-(2-fluorophenyl)ethenyl]-3-(4-hydroxy-2-methylphenyl)urea
CID 108904260
1-[(E)-2-(2-fluorophenyl)ethenyl]-3-(2-morpholin-4-ylphenyl)urea
CID 108904396
1-[(E)-2-(2-chlorophenyl)ethenyl]-3-[4-chloro-2-(trifluoromethyl)phenyl]urea
CID 108904841
1-ethyl-3-[(E)-2-(2-fluorophenyl)ethenyl]urea
CID 108904341
butyl 2-[[(E)-2-(2-fluorophenyl)ethenyl]carbamoylamino]benzoate
CID 108904294
1-(2,4-dichlorophenyl)-3-[(E)-2-(2-methoxyphenyl)ethenyl]urea
CID 108903849

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-[(E)-2-(2-fluorophenyl)ethenyl]urea?
The IUPAC name of 1-(2-chlorophenyl)-3-[(E)-2-(2-fluorophenyl)ethenyl]urea (CID 108904209) is 1-(2-chlorophenyl)-3-[(E)-2-(2-fluorophenyl)ethenyl]urea.
What is the SMILES notation for 1-(2-chlorophenyl)-3-[(E)-2-(2-fluorophenyl)ethenyl]urea?
The canonical SMILES for 1-(2-chlorophenyl)-3-[(E)-2-(2-fluorophenyl)ethenyl]urea is O=C(N/C=C/c1ccccc1F)Nc1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-3-[(E)-2-(2-fluorophenyl)ethenyl]urea?
The InChIKey is MWBWHKCBMWGCLW-MDZDMXLPSA-N. The full InChI is InChI=1S/C15H12ClFN2O/c16-12-6-2-4-8-14(12)19-15(20)18-10-9-11-5-1-3-7-13(11)17/h1-10H,(H2,18,19,20)/b10-9+.
What are the key properties of 1-(2-chlorophenyl)-3-[(E)-2-(2-fluorophenyl)ethenyl]urea?
1-(2-chlorophenyl)-3-[(E)-2-(2-fluorophenyl)ethenyl]urea has a molecular weight of 290.73 g/mol, XLogP of 4.27, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-[(E)-2-(2-fluorophenyl)ethenyl]urea is sourced from PubChem (CID 108904209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).