1-(3,4-dimethoxyphenyl)-3-[(E)-2-(4-fluorophenyl)ethenyl]urea

C17H17FN2O3 — CID 108907908

IUPAC1-(3,4-dimethoxyphenyl)-3-[(E)-2-(4-fluorophenyl)ethenyl]urea
SMILESCOc1ccc(NC(=O)N/C=C/c2ccc(F)cc2)cc1OC
InChIInChI=1S/C17H17FN2O3/c1-22-15-8-7-14(11-16(15)23-2)20-17(21)19-10-9-12-3-5-13(18)6-4-12/h3-11H,1-2H3,(H2,19,20,21)/b10-9+
InChIKeyZYKAGTZDUWNREV-MDZDMXLPSA-N
MW316.33 g/mol
LogP3.64
Rot. Bonds5

About 1-(3,4-dimethoxyphenyl)-3-[(E)-2-(4-fluorophenyl)ethenyl]urea

1-(3,4-dimethoxyphenyl)-3-[(E)-2-(4-fluorophenyl)ethenyl]urea (PubChem CID 108907908) has the molecular formula C17H17FN2O3 and a molecular weight of 316.33 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-3-[(E)-2-(4-fluorophenyl)ethenyl]urea.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-3-[(E)-2-(4-fluorophenyl)ethenyl]urea
PubChem CID108907908
Molecular FormulaC17H17FN2O3
Molecular Weight316.33 g/mol
Exact Mass316.12
IUPAC Name1-(3,4-dimethoxyphenyl)-3-[(E)-2-(4-fluorophenyl)ethenyl]urea
SMILESCOc1ccc(NC(=O)N/C=C/c2ccc(F)cc2)cc1OC
InChIInChI=1S/C17H17FN2O3/c1-22-15-8-7-14(11-16(15)23-2)20-17(21)19-10-9-12-3-5-13(18)6-4-12/h3-11H,1-2H3,(H2,19,20,21)/b10-9+
InChIKeyZYKAGTZDUWNREV-MDZDMXLPSA-N
XLogP3.64
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.33
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dimethoxyphenyl)-3-[(E)-2-(4-methylphenyl)ethenyl]urea
CID 108907165
1-[(E)-2-(3-bromophenyl)ethenyl]-3-(3,4-dimethoxyphenyl)urea
CID 108906792
1-(3,4-dichlorophenyl)-3-[(E)-2-(4-fluorophenyl)ethenyl]urea
CID 108907926
1-(3,4-diethoxyphenyl)-3-[(E)-2-(4-methoxyphenyl)ethenyl]urea
CID 108907679
1-[(E)-2-(4-fluorophenyl)ethenyl]-3-phenylurea
CID 108908068
1-[(E)-2-(4-fluorophenyl)ethenyl]-3-(6-methyl-3-pyridinyl)urea
CID 108908260
(E)-3-[4-[(3,4-dimethoxyphenyl)carbamoylamino]phenyl]-N-hydroxyprop-2-enamide
CID 11068279
1-(4-chloro-3-nitrophenyl)-3-[(E)-2-(4-fluorophenyl)ethenyl]urea
CID 108908008
1-(cyclopentylidenemethyl)-3-(3,4-dimethoxyphenyl)urea
CID 108913424
N-[4-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]phenyl]acetamide
CID 141461725
N-[3-[[(E)-2-(4-methoxyphenyl)ethenyl]carbamoylamino]phenyl]acetamide
CID 108907739
1-(3,4-dimethoxyphenyl)-3-(3-fluoro-4-methylphenyl)urea
CID 971209

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-3-[(E)-2-(4-fluorophenyl)ethenyl]urea?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-3-[(E)-2-(4-fluorophenyl)ethenyl]urea (CID 108907908) is 1-(3,4-dimethoxyphenyl)-3-[(E)-2-(4-fluorophenyl)ethenyl]urea.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-3-[(E)-2-(4-fluorophenyl)ethenyl]urea?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-3-[(E)-2-(4-fluorophenyl)ethenyl]urea is COc1ccc(NC(=O)N/C=C/c2ccc(F)cc2)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-3-[(E)-2-(4-fluorophenyl)ethenyl]urea?
The InChIKey is ZYKAGTZDUWNREV-MDZDMXLPSA-N. The full InChI is InChI=1S/C17H17FN2O3/c1-22-15-8-7-14(11-16(15)23-2)20-17(21)19-10-9-12-3-5-13(18)6-4-12/h3-11H,1-2H3,(H2,19,20,21)/b10-9+.
What are the key properties of 1-(3,4-dimethoxyphenyl)-3-[(E)-2-(4-fluorophenyl)ethenyl]urea?
1-(3,4-dimethoxyphenyl)-3-[(E)-2-(4-fluorophenyl)ethenyl]urea has a molecular weight of 316.33 g/mol, XLogP of 3.64, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-3-[(E)-2-(4-fluorophenyl)ethenyl]urea is sourced from PubChem (CID 108907908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).