1-[2-(4-fluorophenyl)ethyl]-3-[(E)-2,3,3-trimethylbut-1-enyl]urea

C16H23FN2O — CID 108915195

IUPAC1-[2-(4-fluorophenyl)ethyl]-3-[(E)-2,3,3-trimethylbut-1-enyl]urea
SMILESC/C(=C\NC(=O)NCCc1ccc(F)cc1)C(C)(C)C
InChIInChI=1S/C16H23FN2O/c1-12(16(2,3)4)11-19-15(20)18-10-9-13-5-7-14(17)8-6-13/h5-8,11H,9-10H2,1-4H3,(H2,18,19,20)/b12-11+
InChIKeyBXYWRYKTWQNGTK-VAWYXSNFSA-N
MW278.37 g/mol
LogP3.62
Rot. Bonds4

About 1-[2-(4-fluorophenyl)ethyl]-3-[(E)-2,3,3-trimethylbut-1-enyl]urea

1-[2-(4-fluorophenyl)ethyl]-3-[(E)-2,3,3-trimethylbut-1-enyl]urea (PubChem CID 108915195) has the molecular formula C16H23FN2O and a molecular weight of 278.37 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)ethyl]-3-[(E)-2,3,3-trimethylbut-1-enyl]urea.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)ethyl]-3-[(E)-2,3,3-trimethylbut-1-enyl]urea
PubChem CID108915195
Molecular FormulaC16H23FN2O
Molecular Weight278.37 g/mol
Exact Mass278.18
IUPAC Name1-[2-(4-fluorophenyl)ethyl]-3-[(E)-2,3,3-trimethylbut-1-enyl]urea
SMILESC/C(=C\NC(=O)NCCc1ccc(F)cc1)C(C)(C)C
InChIInChI=1S/C16H23FN2O/c1-12(16(2,3)4)11-19-15(20)18-10-9-13-5-7-14(17)8-6-13/h5-8,11H,9-10H2,1-4H3,(H2,18,19,20)/b12-11+
InChIKeyBXYWRYKTWQNGTK-VAWYXSNFSA-N
XLogP3.62
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,2-dimethylpropyl)-3-[2-(4-fluorophenyl)ethyl]urea
CID 110754997
1-[2-(4-fluorophenyl)ethyl]-3-prop-1-en-2-ylurea
CID 108910401
N-[2-(4-fluorophenyl)ethyl]-2,2-dimethylbutanamide
CID 132962553
1-[2-(4-fluorophenyl)ethyl]-3-(2,2,2-trifluoroethyl)urea
CID 115575958
1-[2-(4-fluorophenyl)ethyl]-3-(methoxymethyl)urea
CID 110675926
1-[(E)-2-(4-fluorophenyl)ethenyl]-3-[2-(4-methylphenyl)ethyl]urea
CID 108908257
3-amino-N-[2-(4-fluorophenyl)ethyl]-2,2,3-trimethylbutanamide
CID 65265022
N-[3-(4-fluorophenyl)propyl]acetamide
CID 58997658
N-[2-[[N-[2-(4-fluorophenyl)ethyl]-N'-methylcarbamimidoyl]amino]ethyl]-2,2-dimethylpropanamide
CID 111230275
2-[acetyl(tert-butyl)amino]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 113166097
4-amino-N-[2-(4-fluorophenyl)ethyl]-3,3-dimethylbutanamide
CID 115157410
2-amino-N-[2-(4-fluorophenyl)ethyl]-2-methylpentanamide
CID 60847510

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)ethyl]-3-[(E)-2,3,3-trimethylbut-1-enyl]urea?
The IUPAC name of 1-[2-(4-fluorophenyl)ethyl]-3-[(E)-2,3,3-trimethylbut-1-enyl]urea (CID 108915195) is 1-[2-(4-fluorophenyl)ethyl]-3-[(E)-2,3,3-trimethylbut-1-enyl]urea.
What is the SMILES notation for 1-[2-(4-fluorophenyl)ethyl]-3-[(E)-2,3,3-trimethylbut-1-enyl]urea?
The canonical SMILES for 1-[2-(4-fluorophenyl)ethyl]-3-[(E)-2,3,3-trimethylbut-1-enyl]urea is C/C(=C\NC(=O)NCCc1ccc(F)cc1)C(C)(C)C.
What is the InChIKey of 1-[2-(4-fluorophenyl)ethyl]-3-[(E)-2,3,3-trimethylbut-1-enyl]urea?
The InChIKey is BXYWRYKTWQNGTK-VAWYXSNFSA-N. The full InChI is InChI=1S/C16H23FN2O/c1-12(16(2,3)4)11-19-15(20)18-10-9-13-5-7-14(17)8-6-13/h5-8,11H,9-10H2,1-4H3,(H2,18,19,20)/b12-11+.
What are the key properties of 1-[2-(4-fluorophenyl)ethyl]-3-[(E)-2,3,3-trimethylbut-1-enyl]urea?
1-[2-(4-fluorophenyl)ethyl]-3-[(E)-2,3,3-trimethylbut-1-enyl]urea has a molecular weight of 278.37 g/mol, XLogP of 3.62, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)ethyl]-3-[(E)-2,3,3-trimethylbut-1-enyl]urea is sourced from PubChem (CID 108915195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).