1-(3-fluorophenyl)-3-[(E)-2-phenylethenyl]urea

C15H13FN2O — CID 108903344

IUPAC1-(3-fluorophenyl)-3-[(E)-2-phenylethenyl]urea
SMILESO=C(N/C=C/c1ccccc1)Nc1cccc(F)c1
InChIInChI=1S/C15H13FN2O/c16-13-7-4-8-14(11-13)18-15(19)17-10-9-12-5-2-1-3-6-12/h1-11H,(H2,17,18,19)/b10-9+
InChIKeyFIMCPQOQXYTIQY-MDZDMXLPSA-N
MW256.28 g/mol
LogP3.62
Rot. Bonds3

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

1-(3-fluorophenyl)-3-[(E)-2-phenylethenyl]urea (PubChem CID 108903344) has the molecular formula C15H13FN2O and a molecular weight of 256.28 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-3-[(E)-2-phenylethenyl]urea.

Molecular Properties

Compound Name1-(3-fluorophenyl)-3-[(E)-2-phenylethenyl]urea
PubChem CID108903344
Molecular FormulaC15H13FN2O
Molecular Weight256.28 g/mol
Exact Mass256.10
IUPAC Name1-(3-fluorophenyl)-3-[(E)-2-phenylethenyl]urea
SMILESO=C(N/C=C/c1ccccc1)Nc1cccc(F)c1
InChIInChI=1S/C15H13FN2O/c16-13-7-4-8-14(11-13)18-15(19)17-10-9-12-5-2-1-3-6-12/h1-11H,(H2,17,18,19)/b10-9+
InChIKeyFIMCPQOQXYTIQY-MDZDMXLPSA-N
XLogP3.62
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(E)-2-(3-fluorophenyl)ethenyl]-3-(3-hydroxyphenyl)urea
CID 108906051
N-[3-[[(E)-2-phenylethenyl]carbamoylamino]phenyl]acetamide
CID 108903270
1-[(E)-2-(4-fluorophenyl)ethenyl]-3-phenylurea
CID 108908068
1-(3-fluorophenyl)-3-[(E)-prop-1-enyl]urea
CID 108909659
1-(4-bromophenyl)-3-[(E)-2-(3-fluorophenyl)ethenyl]urea
CID 108906048
2-[4-[[(E)-2-(3-fluorophenyl)ethenyl]carbamoylamino]phenyl]acetic acid
CID 108906208
1-(4-amino-3-chlorophenyl)-3-[(E)-2-(3-fluorophenyl)ethenyl]urea
CID 108906166
1-[4-(dimethylamino)phenyl]-3-[(E)-2-(3-fluorophenyl)ethenyl]urea
CID 108906262
1-(4-ethoxyphenyl)-3-[(E)-2-(3-fluorophenyl)ethenyl]urea
CID 108906155
3-[[(E)-2-(3-bromophenyl)ethenyl]carbamoylamino]benzoic acid
CID 108906795
(E)-N-[(3-fluorophenyl)carbamothioyl]-3-phenylprop-2-enamide
CID 54788707
N-(2-phenylethenylcarbamoyl)formamide
CID 174605369

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-3-[(E)-2-phenylethenyl]urea?
The IUPAC name of 1-(3-fluorophenyl)-3-[(E)-2-phenylethenyl]urea (CID 108903344) is 1-(3-fluorophenyl)-3-[(E)-2-phenylethenyl]urea.
What is the SMILES notation for 1-(3-fluorophenyl)-3-[(E)-2-phenylethenyl]urea?
The canonical SMILES for 1-(3-fluorophenyl)-3-[(E)-2-phenylethenyl]urea is O=C(N/C=C/c1ccccc1)Nc1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-3-[(E)-2-phenylethenyl]urea?
The InChIKey is FIMCPQOQXYTIQY-MDZDMXLPSA-N. The full InChI is InChI=1S/C15H13FN2O/c16-13-7-4-8-14(11-13)18-15(19)17-10-9-12-5-2-1-3-6-12/h1-11H,(H2,17,18,19)/b10-9+.
What are the key properties of 1-(3-fluorophenyl)-3-[(E)-2-phenylethenyl]urea?
1-(3-fluorophenyl)-3-[(E)-2-phenylethenyl]urea has a molecular weight of 256.28 g/mol, XLogP of 3.62, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-3-[(E)-2-phenylethenyl]urea is sourced from PubChem (CID 108903344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).