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

C17H17FN2O — CID 108906179

IUPAC1-[(E)-2-(3-fluorophenyl)ethenyl]-3-[(4-methylphenyl)methyl]urea
SMILESCc1ccc(CNC(=O)N/C=C/c2cccc(F)c2)cc1
InChIInChI=1S/C17H17FN2O/c1-13-5-7-15(8-6-13)12-20-17(21)19-10-9-14-3-2-4-16(18)11-14/h2-11H,12H2,1H3,(H2,19,20,21)/b10-9+
InChIKeyKLMWJPUUNKVXBB-MDZDMXLPSA-N
MW284.33 g/mol
LogP3.60
Rot. Bonds4

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

1-[(E)-2-(3-fluorophenyl)ethenyl]-3-[(4-methylphenyl)methyl]urea (PubChem CID 108906179) has the molecular formula C17H17FN2O and a molecular weight of 284.33 g/mol. Its IUPAC name is 1-[(E)-2-(3-fluorophenyl)ethenyl]-3-[(4-methylphenyl)methyl]urea.

Molecular Properties

Compound Name1-[(E)-2-(3-fluorophenyl)ethenyl]-3-[(4-methylphenyl)methyl]urea
PubChem CID108906179
Molecular FormulaC17H17FN2O
Molecular Weight284.33 g/mol
Exact Mass284.13
IUPAC Name1-[(E)-2-(3-fluorophenyl)ethenyl]-3-[(4-methylphenyl)methyl]urea
SMILESCc1ccc(CNC(=O)N/C=C/c2cccc(F)c2)cc1
InChIInChI=1S/C17H17FN2O/c1-13-5-7-15(8-6-13)12-20-17(21)19-10-9-14-3-2-4-16(18)11-14/h2-11H,12H2,1H3,(H2,19,20,21)/b10-9+
InChIKeyKLMWJPUUNKVXBB-MDZDMXLPSA-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

4-[[[(E)-2-(3-fluorophenyl)ethenyl]carbamoylamino]methyl]benzoic acid
CID 108906209
1-[(4-bromophenyl)methyl]-3-[(E)-2-(3-methylphenyl)ethenyl]urea
CID 108905638
1-(3-fluorophenyl)-3-[(4-methylphenyl)methyl]urea
CID 47154197
ethyl N-[2-[[(E)-2-(3-fluorophenyl)ethenyl]carbamoylamino]ethyl]carbamate
CID 108906414
1-[(E)-2-(3-fluorophenyl)ethenyl]-3-(pyridin-2-ylmethyl)urea
CID 108906181
1-[(E)-2-(3-bromophenyl)ethenyl]-3-[(4-bromophenyl)methyl]urea
CID 108907130
1-[2-(diethylamino)ethyl]-3-[(E)-2-(3-fluorophenyl)ethenyl]urea
CID 108906211
1-[(E)-2-(3-fluorophenyl)ethenyl]-3-(3-methoxypropyl)urea
CID 108906104
1-[(3-fluorophenyl)methyl]-3-[(E)-prop-1-enyl]urea
CID 108909716
2-[4-[[(E)-2-(3-fluorophenyl)ethenyl]carbamoylamino]phenyl]acetic acid
CID 108906208
1-[(4-aminophenyl)methyl]-3-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]urea
CID 121264646
1-[(E)-2-(3-bromophenyl)ethenyl]-3-[(4-methoxyphenyl)methyl]urea
CID 108906861

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-(3-fluorophenyl)ethenyl]-3-[(4-methylphenyl)methyl]urea?
The IUPAC name of 1-[(E)-2-(3-fluorophenyl)ethenyl]-3-[(4-methylphenyl)methyl]urea (CID 108906179) is 1-[(E)-2-(3-fluorophenyl)ethenyl]-3-[(4-methylphenyl)methyl]urea.
What is the SMILES notation for 1-[(E)-2-(3-fluorophenyl)ethenyl]-3-[(4-methylphenyl)methyl]urea?
The canonical SMILES for 1-[(E)-2-(3-fluorophenyl)ethenyl]-3-[(4-methylphenyl)methyl]urea is Cc1ccc(CNC(=O)N/C=C/c2cccc(F)c2)cc1.
What is the InChIKey of 1-[(E)-2-(3-fluorophenyl)ethenyl]-3-[(4-methylphenyl)methyl]urea?
The InChIKey is KLMWJPUUNKVXBB-MDZDMXLPSA-N. The full InChI is InChI=1S/C17H17FN2O/c1-13-5-7-15(8-6-13)12-20-17(21)19-10-9-14-3-2-4-16(18)11-14/h2-11H,12H2,1H3,(H2,19,20,21)/b10-9+.
What are the key properties of 1-[(E)-2-(3-fluorophenyl)ethenyl]-3-[(4-methylphenyl)methyl]urea?
1-[(E)-2-(3-fluorophenyl)ethenyl]-3-[(4-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-(3-fluorophenyl)ethenyl]-3-[(4-methylphenyl)methyl]urea is sourced from PubChem (CID 108906179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).