1-[(4-fluorophenyl)methyl]-3-[(E)-2-(2-methylphenyl)ethenyl]urea

C17H17FN2O — CID 108903690

IUPAC1-[(4-fluorophenyl)methyl]-3-[(E)-2-(2-methylphenyl)ethenyl]urea
SMILESCc1ccccc1/C=C/NC(=O)NCc1ccc(F)cc1
InChIInChI=1S/C17H17FN2O/c1-13-4-2-3-5-15(13)10-11-19-17(21)20-12-14-6-8-16(18)9-7-14/h2-11H,12H2,1H3,(H2,19,20,21)/b11-10+
InChIKeyKMXLLOHCVUYFJN-ZHACJKMWSA-N
MW284.33 g/mol
LogP3.60
Rot. Bonds4

About 1-[(4-fluorophenyl)methyl]-3-[(E)-2-(2-methylphenyl)ethenyl]urea

1-[(4-fluorophenyl)methyl]-3-[(E)-2-(2-methylphenyl)ethenyl]urea (PubChem CID 108903690) has the molecular formula C17H17FN2O and a molecular weight of 284.33 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-3-[(E)-2-(2-methylphenyl)ethenyl]urea.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-3-[(E)-2-(2-methylphenyl)ethenyl]urea
PubChem CID108903690
Molecular FormulaC17H17FN2O
Molecular Weight284.33 g/mol
Exact Mass284.13
IUPAC Name1-[(4-fluorophenyl)methyl]-3-[(E)-2-(2-methylphenyl)ethenyl]urea
SMILESCc1ccccc1/C=C/NC(=O)NCc1ccc(F)cc1
InChIInChI=1S/C17H17FN2O/c1-13-4-2-3-5-15(13)10-11-19-17(21)20-12-14-6-8-16(18)9-7-14/h2-11H,12H2,1H3,(H2,19,20,21)/b11-10+
InChIKeyKMXLLOHCVUYFJN-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-(1,3-benzodioxol-5-ylmethyl)-3-[(E)-2-(2-methylphenyl)ethenyl]urea
CID 108903510
1-[(E)-2-(2-fluorophenyl)ethenyl]-3-[(2-methylphenyl)methyl]urea
CID 108904515
1-[(E)-2-(2-methylphenyl)ethenyl]-3-(2-phenylethyl)urea
CID 108903493
4-[[[(E)-2-(2-fluorophenyl)ethenyl]carbamoylamino]methyl]benzoic acid
CID 108904347
(E)-N-[2-(4-fluorophenyl)ethyl]-3-(2-methylphenyl)prop-2-enamide
CID 9392275
1-benzyl-3-[(E)-2-(2-bromophenyl)ethenyl]urea
CID 108905000
1-[(E)-2-(3-fluorophenyl)ethenyl]-3-[(4-methylphenyl)methyl]urea
CID 108906179
1-[(E)-2-(2-chlorophenyl)ethenyl]-3-[(3-fluorophenyl)methyl]urea
CID 108904890
1-[(E)-2-(4-fluorophenyl)ethenyl]-3-[(4-sulfamoylphenyl)methyl]urea
CID 108908056
1-[(3-fluoro-4-methylphenyl)methyl]-3-[(4-fluorophenyl)methyl]urea
CID 38949085
1-ethyl-3-[(E)-2-(2-fluorophenyl)ethenyl]urea
CID 108904341
1-(4-hydroxyphenyl)-3-[(E)-2-(2-methylphenyl)ethenyl]urea
CID 108903472

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-3-[(E)-2-(2-methylphenyl)ethenyl]urea?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-3-[(E)-2-(2-methylphenyl)ethenyl]urea (CID 108903690) is 1-[(4-fluorophenyl)methyl]-3-[(E)-2-(2-methylphenyl)ethenyl]urea.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-3-[(E)-2-(2-methylphenyl)ethenyl]urea?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-3-[(E)-2-(2-methylphenyl)ethenyl]urea is Cc1ccccc1/C=C/NC(=O)NCc1ccc(F)cc1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-3-[(E)-2-(2-methylphenyl)ethenyl]urea?
The InChIKey is KMXLLOHCVUYFJN-ZHACJKMWSA-N. The full InChI is InChI=1S/C17H17FN2O/c1-13-4-2-3-5-15(13)10-11-19-17(21)20-12-14-6-8-16(18)9-7-14/h2-11H,12H2,1H3,(H2,19,20,21)/b11-10+.
What are the key properties of 1-[(4-fluorophenyl)methyl]-3-[(E)-2-(2-methylphenyl)ethenyl]urea?
1-[(4-fluorophenyl)methyl]-3-[(E)-2-(2-methylphenyl)ethenyl]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-[(4-fluorophenyl)methyl]-3-[(E)-2-(2-methylphenyl)ethenyl]urea is sourced from PubChem (CID 108903690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).