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

C17H17FN2O — CID 108904515

IUPAC1-[(E)-2-(2-fluorophenyl)ethenyl]-3-[(2-methylphenyl)methyl]urea
SMILESCc1ccccc1CNC(=O)N/C=C/c1ccccc1F
InChIInChI=1S/C17H17FN2O/c1-13-6-2-3-8-15(13)12-20-17(21)19-11-10-14-7-4-5-9-16(14)18/h2-11H,12H2,1H3,(H2,19,20,21)/b11-10+
InChIKeySSOBBXTZQSVKBF-ZHACJKMWSA-N
MW284.33 g/mol
LogP3.60
Rot. Bonds4

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

1-[(E)-2-(2-fluorophenyl)ethenyl]-3-[(2-methylphenyl)methyl]urea (PubChem CID 108904515) has the molecular formula C17H17FN2O and a molecular weight of 284.33 g/mol. Its IUPAC name is 1-[(E)-2-(2-fluorophenyl)ethenyl]-3-[(2-methylphenyl)methyl]urea.

Molecular Properties

Compound Name1-[(E)-2-(2-fluorophenyl)ethenyl]-3-[(2-methylphenyl)methyl]urea
PubChem CID108904515
Molecular FormulaC17H17FN2O
Molecular Weight284.33 g/mol
Exact Mass284.13
IUPAC Name1-[(E)-2-(2-fluorophenyl)ethenyl]-3-[(2-methylphenyl)methyl]urea
SMILESCc1ccccc1CNC(=O)N/C=C/c1ccccc1F
InChIInChI=1S/C17H17FN2O/c1-13-6-2-3-8-15(13)12-20-17(21)19-11-10-14-7-4-5-9-16(14)18/h2-11H,12H2,1H3,(H2,19,20,21)/b11-10+
InChIKeySSOBBXTZQSVKBF-ZHACJKMWSA-N
XLogP3.60
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-ethyl-3-[(E)-2-(2-fluorophenyl)ethenyl]urea
CID 108904341
1-(2,3-dimethylphenyl)-3-[(E)-2-(2-fluorophenyl)ethenyl]urea
CID 108904298
1-[(4-fluorophenyl)methyl]-3-[(E)-2-(2-methylphenyl)ethenyl]urea
CID 108903690
4-[[[(E)-2-(2-fluorophenyl)ethenyl]carbamoylamino]methyl]benzoic acid
CID 108904347
1-(2,6-difluorophenyl)-3-[(2-methylphenyl)methyl]urea
CID 47133130
1-[(E)-2-(3-bromophenyl)ethenyl]-3-[(2-methylphenyl)methyl]urea
CID 108907123
1-[(E)-2-(2-fluorophenyl)ethenyl]-3-(4-hydroxy-2-methylphenyl)urea
CID 108904260
2,3-difluoro-N-[(2-methylphenyl)methyl]benzamide
CID 62649874
1-(2-chlorophenyl)-3-[(E)-2-(2-fluorophenyl)ethenyl]urea
CID 108904209
2-(2-fluorophenyl)-N-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]acetamide
CID 112992093
1-(2-butan-2-ylphenyl)-3-[(E)-2-(2-fluorophenyl)ethenyl]urea
CID 108904492
1-(1,3-benzodioxol-5-ylmethyl)-3-[(E)-2-(2-methylphenyl)ethenyl]urea
CID 108903510

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-(2-fluorophenyl)ethenyl]-3-[(2-methylphenyl)methyl]urea?
The IUPAC name of 1-[(E)-2-(2-fluorophenyl)ethenyl]-3-[(2-methylphenyl)methyl]urea (CID 108904515) is 1-[(E)-2-(2-fluorophenyl)ethenyl]-3-[(2-methylphenyl)methyl]urea.
What is the SMILES notation for 1-[(E)-2-(2-fluorophenyl)ethenyl]-3-[(2-methylphenyl)methyl]urea?
The canonical SMILES for 1-[(E)-2-(2-fluorophenyl)ethenyl]-3-[(2-methylphenyl)methyl]urea is Cc1ccccc1CNC(=O)N/C=C/c1ccccc1F.
What is the InChIKey of 1-[(E)-2-(2-fluorophenyl)ethenyl]-3-[(2-methylphenyl)methyl]urea?
The InChIKey is SSOBBXTZQSVKBF-ZHACJKMWSA-N. The full InChI is InChI=1S/C17H17FN2O/c1-13-6-2-3-8-15(13)12-20-17(21)19-11-10-14-7-4-5-9-16(14)18/h2-11H,12H2,1H3,(H2,19,20,21)/b11-10+.
What are the key properties of 1-[(E)-2-(2-fluorophenyl)ethenyl]-3-[(2-methylphenyl)methyl]urea?
1-[(E)-2-(2-fluorophenyl)ethenyl]-3-[(2-methylphenyl)methyl]urea has a molecular weight of 284.33 g/mol, XLogP of 3.60, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-(2-fluorophenyl)ethenyl]-3-[(2-methylphenyl)methyl]urea is sourced from PubChem (CID 108904515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).