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

C11H13FN2O — CID 108904341

IUPAC1-ethyl-3-[(E)-2-(2-fluorophenyl)ethenyl]urea
SMILESCCNC(=O)N/C=C/c1ccccc1F
InChIInChI=1S/C11H13FN2O/c1-2-13-11(15)14-8-7-9-5-3-4-6-10(9)12/h3-8H,2H2,1H3,(H2,13,14,15)/b8-7+
InChIKeyJXRRCSIKMVGNLV-BQYQJAHWSA-N
MW208.24 g/mol
LogP2.12
Rot. Bonds3

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

1-ethyl-3-[(E)-2-(2-fluorophenyl)ethenyl]urea (PubChem CID 108904341) has the molecular formula C11H13FN2O and a molecular weight of 208.24 g/mol. Its IUPAC name is 1-ethyl-3-[(E)-2-(2-fluorophenyl)ethenyl]urea.

Molecular Properties

Compound Name1-ethyl-3-[(E)-2-(2-fluorophenyl)ethenyl]urea
PubChem CID108904341
Molecular FormulaC11H13FN2O
Molecular Weight208.24 g/mol
Exact Mass208.10
IUPAC Name1-ethyl-3-[(E)-2-(2-fluorophenyl)ethenyl]urea
SMILESCCNC(=O)N/C=C/c1ccccc1F
InChIInChI=1S/C11H13FN2O/c1-2-13-11(15)14-8-7-9-5-3-4-6-10(9)12/h3-8H,2H2,1H3,(H2,13,14,15)/b8-7+
InChIKeyJXRRCSIKMVGNLV-BQYQJAHWSA-N
XLogP2.12
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(E)-2-(2-fluorophenyl)ethenyl]-3-[(2-methylphenyl)methyl]urea
CID 108904515
1-[(E)-2-(2-fluorophenyl)ethenyl]-3-(2,4,4-trimethylpentan-2-yl)urea
CID 108904384
4-[[[(E)-2-(2-fluorophenyl)ethenyl]carbamoylamino]methyl]benzoic acid
CID 108904347
1-(2-butan-2-ylphenyl)-3-[(E)-2-(2-fluorophenyl)ethenyl]urea
CID 108904492
1-(2-chlorophenyl)-3-[(E)-2-(2-fluorophenyl)ethenyl]urea
CID 108904209
1-(2,3-dimethylphenyl)-3-[(E)-2-(2-fluorophenyl)ethenyl]urea
CID 108904298
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(E)-2-(2-fluorophenyl)ethenyl]urea
CID 108904241
1-cyclododecyl-3-[(E)-2-(2-fluorophenyl)ethenyl]urea
CID 108904312
1-[(E)-2-(2-fluorophenyl)ethenyl]-3-(4-hydroxy-2-methylphenyl)urea
CID 108904260
butyl 2-[[(E)-2-(2-fluorophenyl)ethenyl]carbamoylamino]benzoate
CID 108904294
1-[(E)-2-(2-fluorophenyl)ethenyl]-3-(4-methyl-2-pyridinyl)urea
CID 108904487
1-(1-adamantyl)-3-[(E)-2-(2-fluorophenyl)ethenyl]urea
CID 108904449

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[(E)-2-(2-fluorophenyl)ethenyl]urea?
The IUPAC name of 1-ethyl-3-[(E)-2-(2-fluorophenyl)ethenyl]urea (CID 108904341) is 1-ethyl-3-[(E)-2-(2-fluorophenyl)ethenyl]urea.
What is the SMILES notation for 1-ethyl-3-[(E)-2-(2-fluorophenyl)ethenyl]urea?
The canonical SMILES for 1-ethyl-3-[(E)-2-(2-fluorophenyl)ethenyl]urea is CCNC(=O)N/C=C/c1ccccc1F.
What is the InChIKey of 1-ethyl-3-[(E)-2-(2-fluorophenyl)ethenyl]urea?
The InChIKey is JXRRCSIKMVGNLV-BQYQJAHWSA-N. The full InChI is InChI=1S/C11H13FN2O/c1-2-13-11(15)14-8-7-9-5-3-4-6-10(9)12/h3-8H,2H2,1H3,(H2,13,14,15)/b8-7+.
What are the key properties of 1-ethyl-3-[(E)-2-(2-fluorophenyl)ethenyl]urea?
1-ethyl-3-[(E)-2-(2-fluorophenyl)ethenyl]urea has a molecular weight of 208.24 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[(E)-2-(2-fluorophenyl)ethenyl]urea is sourced from PubChem (CID 108904341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).