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

C19H21FN2O — CID 108904492

IUPAC1-(2-butan-2-ylphenyl)-3-[(E)-2-(2-fluorophenyl)ethenyl]urea
SMILESCCC(C)c1ccccc1NC(=O)N/C=C/c1ccccc1F
InChIInChI=1S/C19H21FN2O/c1-3-14(2)16-9-5-7-11-18(16)22-19(23)21-13-12-15-8-4-6-10-17(15)20/h4-14H,3H2,1-2H3,(H2,21,22,23)/b13-12+
InChIKeyWXDJGYLTHBQHPK-OUKQBFOZSA-N
MW312.39 g/mol
LogP5.13
Rot. Bonds5

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

1-(2-butan-2-ylphenyl)-3-[(E)-2-(2-fluorophenyl)ethenyl]urea (PubChem CID 108904492) has the molecular formula C19H21FN2O and a molecular weight of 312.39 g/mol. Its IUPAC name is 1-(2-butan-2-ylphenyl)-3-[(E)-2-(2-fluorophenyl)ethenyl]urea.

Molecular Properties

Compound Name1-(2-butan-2-ylphenyl)-3-[(E)-2-(2-fluorophenyl)ethenyl]urea
PubChem CID108904492
Molecular FormulaC19H21FN2O
Molecular Weight312.39 g/mol
Exact Mass312.16
IUPAC Name1-(2-butan-2-ylphenyl)-3-[(E)-2-(2-fluorophenyl)ethenyl]urea
SMILESCCC(C)c1ccccc1NC(=O)N/C=C/c1ccccc1F
InChIInChI=1S/C19H21FN2O/c1-3-14(2)16-9-5-7-11-18(16)22-19(23)21-13-12-15-8-4-6-10-17(15)20/h4-14H,3H2,1-2H3,(H2,21,22,23)/b13-12+
InChIKeyWXDJGYLTHBQHPK-OUKQBFOZSA-N
XLogP5.13
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.39
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-butan-2-ylphenyl)-3-[(E)-3-methylbut-1-enyl]urea
CID 108911176
1-(2-chlorophenyl)-3-[(E)-2-(2-fluorophenyl)ethenyl]urea
CID 108904209
1-ethyl-3-[(E)-2-(2-fluorophenyl)ethenyl]urea
CID 108904341
butyl 2-[[(E)-2-(2-fluorophenyl)ethenyl]carbamoylamino]benzoate
CID 108904294
N-[2-[(2S)-butan-2-yl]phenyl]-2-methylpropanamide
CID 959786
N-[2-[(2R)-butan-2-yl]phenyl]acetamide
CID 959734
1-[(E)-2-(2-fluorophenyl)ethenyl]-3-(4-hydroxy-2-methylphenyl)urea
CID 108904260
N-[2-[(2S)-butan-2-yl]phenyl]-2-(4-fluorophenyl)acetamide
CID 1122525
N-[2-[(2R)-butan-2-yl]phenyl]benzamide
CID 849169
1-(2-butan-2-ylphenyl)-3-[(4-fluorophenyl)methyl]urea
CID 108867733
N-(2-butan-2-ylphenyl)-2-[(2-fluorophenyl)methyl-methylamino]propanamide
CID 4879414
1-(2-butan-2-ylphenyl)-3-prop-1-en-2-ylurea
CID 108910430

Frequently Asked Questions

What is the IUPAC name of 1-(2-butan-2-ylphenyl)-3-[(E)-2-(2-fluorophenyl)ethenyl]urea?
The IUPAC name of 1-(2-butan-2-ylphenyl)-3-[(E)-2-(2-fluorophenyl)ethenyl]urea (CID 108904492) is 1-(2-butan-2-ylphenyl)-3-[(E)-2-(2-fluorophenyl)ethenyl]urea.
What is the SMILES notation for 1-(2-butan-2-ylphenyl)-3-[(E)-2-(2-fluorophenyl)ethenyl]urea?
The canonical SMILES for 1-(2-butan-2-ylphenyl)-3-[(E)-2-(2-fluorophenyl)ethenyl]urea is CCC(C)c1ccccc1NC(=O)N/C=C/c1ccccc1F.
What is the InChIKey of 1-(2-butan-2-ylphenyl)-3-[(E)-2-(2-fluorophenyl)ethenyl]urea?
The InChIKey is WXDJGYLTHBQHPK-OUKQBFOZSA-N. The full InChI is InChI=1S/C19H21FN2O/c1-3-14(2)16-9-5-7-11-18(16)22-19(23)21-13-12-15-8-4-6-10-17(15)20/h4-14H,3H2,1-2H3,(H2,21,22,23)/b13-12+.
What are the key properties of 1-(2-butan-2-ylphenyl)-3-[(E)-2-(2-fluorophenyl)ethenyl]urea?
1-(2-butan-2-ylphenyl)-3-[(E)-2-(2-fluorophenyl)ethenyl]urea has a molecular weight of 312.39 g/mol, XLogP of 5.13, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-butan-2-ylphenyl)-3-[(E)-2-(2-fluorophenyl)ethenyl]urea is sourced from PubChem (CID 108904492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).