1-(2-fluorophenyl)-3-[(E)-2-methylbut-1-enyl]urea

C12H15FN2O — CID 108914322

IUPAC1-(2-fluorophenyl)-3-[(E)-2-methylbut-1-enyl]urea
SMILESCC/C(C)=C/NC(=O)Nc1ccccc1F
InChIInChI=1S/C12H15FN2O/c1-3-9(2)8-14-12(16)15-11-7-5-4-6-10(11)13/h4-8H,3H2,1-2H3,(H2,14,15,16)/b9-8+
InChIKeyRLJLYIULCGCINF-CMDGGOBGSA-N
MW222.26 g/mol
LogP3.26
Rot. Bonds3

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

1-(2-fluorophenyl)-3-[(E)-2-methylbut-1-enyl]urea (PubChem CID 108914322) has the molecular formula C12H15FN2O and a molecular weight of 222.26 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-[(E)-2-methylbut-1-enyl]urea.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-[(E)-2-methylbut-1-enyl]urea
PubChem CID108914322
Molecular FormulaC12H15FN2O
Molecular Weight222.26 g/mol
Exact Mass222.12
IUPAC Name1-(2-fluorophenyl)-3-[(E)-2-methylbut-1-enyl]urea
SMILESCC/C(C)=C/NC(=O)Nc1ccccc1F
InChIInChI=1S/C12H15FN2O/c1-3-9(2)8-14-12(16)15-11-7-5-4-6-10(11)13/h4-8H,3H2,1-2H3,(H2,14,15,16)/b9-8+
InChIKeyRLJLYIULCGCINF-CMDGGOBGSA-N
XLogP3.26
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 1-(2-fluorophenyl)-3-[(E)-2-methylbut-1-enyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-ethenyl-3-(2-fluorophenyl)urea
CID 108909167
1-[(2R)-butan-2-yl]-3-(2-fluorophenyl)urea
CID 727758
N-(2-fluorophenyl)butanamide
CID 849021
N-(2-fluorophenyl)hexanamide
CID 3481165
1-(2,6-difluorophenyl)-3-(2-methylprop-1-enyl)urea
CID 108909916
1-(2-fluorophenyl)-3-[2-(2-methylprop-2-enoxy)ethyl]urea
CID 113258094
1-(2-fluorophenyl)-3-[(E)-pent-3-enyl]urea
CID 115629205
2-[(2-ethylphenyl)carbamoylamino]-N-(2-fluorophenyl)acetamide
CID 772197
1-(2-fluorophenyl)-3-[(2S)-2-hydroxy-2-methylbutyl]urea
CID 94798731
1-(4-amino-2,2-dimethylbutyl)-3-(2-fluorophenyl)urea
CID 106141258
1-(1-aminobutan-2-yl)-3-(2-fluorophenyl)urea
CID 63767489
1-(2-fluorophenyl)-3-[(E)-2-(3-methoxyphenyl)ethenyl]urea
CID 108905825

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-[(E)-2-methylbut-1-enyl]urea?
The IUPAC name of 1-(2-fluorophenyl)-3-[(E)-2-methylbut-1-enyl]urea (CID 108914322) is 1-(2-fluorophenyl)-3-[(E)-2-methylbut-1-enyl]urea.
What is the SMILES notation for 1-(2-fluorophenyl)-3-[(E)-2-methylbut-1-enyl]urea?
The canonical SMILES for 1-(2-fluorophenyl)-3-[(E)-2-methylbut-1-enyl]urea is CC/C(C)=C/NC(=O)Nc1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-3-[(E)-2-methylbut-1-enyl]urea?
The InChIKey is RLJLYIULCGCINF-CMDGGOBGSA-N. The full InChI is InChI=1S/C12H15FN2O/c1-3-9(2)8-14-12(16)15-11-7-5-4-6-10(11)13/h4-8H,3H2,1-2H3,(H2,14,15,16)/b9-8+.
What are the key properties of 1-(2-fluorophenyl)-3-[(E)-2-methylbut-1-enyl]urea?
1-(2-fluorophenyl)-3-[(E)-2-methylbut-1-enyl]urea has a molecular weight of 222.26 g/mol, XLogP of 3.26, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-3-[(E)-2-methylbut-1-enyl]urea is sourced from PubChem (CID 108914322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).