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

C16H15FN2O2 — CID 108905825

IUPAC1-(2-fluorophenyl)-3-[(E)-2-(3-methoxyphenyl)ethenyl]urea
SMILESCOc1cccc(/C=C/NC(=O)Nc2ccccc2F)c1
InChIInChI=1S/C16H15FN2O2/c1-21-13-6-4-5-12(11-13)9-10-18-16(20)19-15-8-3-2-7-14(15)17/h2-11H,1H3,(H2,18,19,20)/b10-9+
InChIKeyDASFLVZKIFOIOC-MDZDMXLPSA-N
MW286.31 g/mol
LogP3.63
Rot. Bonds4

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

1-(2-fluorophenyl)-3-[(E)-2-(3-methoxyphenyl)ethenyl]urea (PubChem CID 108905825) has the molecular formula C16H15FN2O2 and a molecular weight of 286.31 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-[(E)-2-(3-methoxyphenyl)ethenyl]urea.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-[(E)-2-(3-methoxyphenyl)ethenyl]urea
PubChem CID108905825
Molecular FormulaC16H15FN2O2
Molecular Weight286.31 g/mol
Exact Mass286.11
IUPAC Name1-(2-fluorophenyl)-3-[(E)-2-(3-methoxyphenyl)ethenyl]urea
SMILESCOc1cccc(/C=C/NC(=O)Nc2ccccc2F)c1
InChIInChI=1S/C16H15FN2O2/c1-21-13-6-4-5-12(11-13)9-10-18-16(20)19-15-8-3-2-7-14(15)17/h2-11H,1H3,(H2,18,19,20)/b10-9+
InChIKeyDASFLVZKIFOIOC-MDZDMXLPSA-N
XLogP3.63
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(2-fluorophenyl)-3-[(E)-2-(3-methoxyphenyl)ethenyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(E)-2-(3-methoxyphenyl)ethenyl]-3-(2,3,4-trifluorophenyl)urea
CID 108905985
1-[2-(2-fluorophenyl)ethyl]-3-[(E)-2-(3-methoxyphenyl)ethenyl]urea
CID 108906014
1-(2,4-dichlorophenyl)-3-[(E)-2-(3-methoxyphenyl)ethenyl]urea
CID 108905710
1-(2-hydroxy-5-methylphenyl)-3-[(E)-2-(3-methoxyphenyl)ethenyl]urea
CID 108905842
1-(2-hydroxy-4-methylphenyl)-3-[(E)-2-(3-methoxyphenyl)ethenyl]urea
CID 108905958
dimethyl 2-[[(E)-2-(3-methoxyphenyl)ethenyl]carbamoylamino]benzene-1,4-dicarboxylate
CID 108905856
1-benzhydryl-3-[(E)-2-(3-methoxyphenyl)ethenyl]urea
CID 108905741
N-[(E)-2-(3-methoxyphenyl)ethenyl]benzamide
CID 146295261
N-(2-fluorophenyl)-N'-[(Z)-(3-methoxyphenyl)methylideneamino]oxamide
CID 6174024
1-[(E)-2-(3-bromophenyl)ethenyl]-3-(3-methoxyphenyl)urea
CID 108906934
(E)-2-cyano-N-(2-fluorophenyl)-3-(3-methoxyphenyl)prop-2-enamide
CID 7480752
1-[(E)-2-(3-methoxyphenyl)ethenyl]-3-[2-(2-methoxyphenyl)ethyl]urea
CID 108906013

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-[(E)-2-(3-methoxyphenyl)ethenyl]urea?
The IUPAC name of 1-(2-fluorophenyl)-3-[(E)-2-(3-methoxyphenyl)ethenyl]urea (CID 108905825) is 1-(2-fluorophenyl)-3-[(E)-2-(3-methoxyphenyl)ethenyl]urea.
What is the SMILES notation for 1-(2-fluorophenyl)-3-[(E)-2-(3-methoxyphenyl)ethenyl]urea?
The canonical SMILES for 1-(2-fluorophenyl)-3-[(E)-2-(3-methoxyphenyl)ethenyl]urea is COc1cccc(/C=C/NC(=O)Nc2ccccc2F)c1.
What is the InChIKey of 1-(2-fluorophenyl)-3-[(E)-2-(3-methoxyphenyl)ethenyl]urea?
The InChIKey is DASFLVZKIFOIOC-MDZDMXLPSA-N. The full InChI is InChI=1S/C16H15FN2O2/c1-21-13-6-4-5-12(11-13)9-10-18-16(20)19-15-8-3-2-7-14(15)17/h2-11H,1H3,(H2,18,19,20)/b10-9+.
What are the key properties of 1-(2-fluorophenyl)-3-[(E)-2-(3-methoxyphenyl)ethenyl]urea?
1-(2-fluorophenyl)-3-[(E)-2-(3-methoxyphenyl)ethenyl]urea has a molecular weight of 286.31 g/mol, XLogP of 3.63, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-3-[(E)-2-(3-methoxyphenyl)ethenyl]urea is sourced from PubChem (CID 108905825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).