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

C18H19FN2O — CID 108908257

IUPAC1-[(E)-2-(4-fluorophenyl)ethenyl]-3-[2-(4-methylphenyl)ethyl]urea
SMILESCc1ccc(CCNC(=O)N/C=C/c2ccc(F)cc2)cc1
InChIInChI=1S/C18H19FN2O/c1-14-2-4-15(5-3-14)10-12-20-18(22)21-13-11-16-6-8-17(19)9-7-16/h2-9,11,13H,10,12H2,1H3,(H2,20,21,22)/b13-11+
InChIKeySQGGSXPPQGJBJO-ACCUITESSA-N
MW298.36 g/mol
LogP3.65
Rot. Bonds5

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

1-[(E)-2-(4-fluorophenyl)ethenyl]-3-[2-(4-methylphenyl)ethyl]urea (PubChem CID 108908257) has the molecular formula C18H19FN2O and a molecular weight of 298.36 g/mol. Its IUPAC name is 1-[(E)-2-(4-fluorophenyl)ethenyl]-3-[2-(4-methylphenyl)ethyl]urea.

Molecular Properties

Compound Name1-[(E)-2-(4-fluorophenyl)ethenyl]-3-[2-(4-methylphenyl)ethyl]urea
PubChem CID108908257
Molecular FormulaC18H19FN2O
Molecular Weight298.36 g/mol
Exact Mass298.15
IUPAC Name1-[(E)-2-(4-fluorophenyl)ethenyl]-3-[2-(4-methylphenyl)ethyl]urea
SMILESCc1ccc(CCNC(=O)N/C=C/c2ccc(F)cc2)cc1
InChIInChI=1S/C18H19FN2O/c1-14-2-4-15(5-3-14)10-12-20-18(22)21-13-11-16-6-8-17(19)9-7-16/h2-9,11,13H,10,12H2,1H3,(H2,20,21,22)/b13-11+
InChIKeySQGGSXPPQGJBJO-ACCUITESSA-N
XLogP3.65
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 1-[(E)-2-(4-fluorophenyl)ethenyl]-3-[2-(4-methylphenyl)ethyl]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-(4-chlorophenyl)ethenyl]-3-[2-(4-fluorophenyl)ethyl]urea
CID 108908555
1-[(E)-2-(4-methoxyphenyl)ethenyl]-3-[2-(4-methylphenyl)ethyl]urea
CID 108907884
1-[2-(4-methylphenyl)ethyl]-3-[(E)-prop-1-enyl]urea
CID 108909730
1-[(E)-2-(4-fluorophenyl)ethenyl]-3-(3-hydroxypropyl)urea
CID 108908089
3-[[(E)-2-(4-methylphenyl)ethenyl]carbamoylamino]propanoic acid
CID 108907171
1-butyl-3-[(E)-2-(4-methylphenyl)ethenyl]urea
CID 108907214
1-[2-(4-fluorophenyl)ethyl]-3-[3-(4-methylphenyl)-3-oxopropyl]urea
CID 108874692
1-[2-(4-fluorophenyl)ethyl]-3-[(4-methylphenoxy)methyl]urea
CID 108893063
1-[(E)-2-(4-bromophenyl)ethenyl]-3-[2-(4-chlorophenyl)ethyl]urea
CID 108908999
methyl 2-[[(E)-2-(4-fluorophenyl)ethenyl]carbamoylamino]acetate
CID 108908234
N-[2-(4-fluorophenyl)ethyl]-2-(4-methylphenyl)-2-oxoacetamide
CID 134030150
1-[(E)-2-(4-fluorophenyl)ethenyl]-3-[2-(2-hydroxyethoxy)ethyl]urea
CID 108908090

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-(4-fluorophenyl)ethenyl]-3-[2-(4-methylphenyl)ethyl]urea?
The IUPAC name of 1-[(E)-2-(4-fluorophenyl)ethenyl]-3-[2-(4-methylphenyl)ethyl]urea (CID 108908257) is 1-[(E)-2-(4-fluorophenyl)ethenyl]-3-[2-(4-methylphenyl)ethyl]urea.
What is the SMILES notation for 1-[(E)-2-(4-fluorophenyl)ethenyl]-3-[2-(4-methylphenyl)ethyl]urea?
The canonical SMILES for 1-[(E)-2-(4-fluorophenyl)ethenyl]-3-[2-(4-methylphenyl)ethyl]urea is Cc1ccc(CCNC(=O)N/C=C/c2ccc(F)cc2)cc1.
What is the InChIKey of 1-[(E)-2-(4-fluorophenyl)ethenyl]-3-[2-(4-methylphenyl)ethyl]urea?
The InChIKey is SQGGSXPPQGJBJO-ACCUITESSA-N. The full InChI is InChI=1S/C18H19FN2O/c1-14-2-4-15(5-3-14)10-12-20-18(22)21-13-11-16-6-8-17(19)9-7-16/h2-9,11,13H,10,12H2,1H3,(H2,20,21,22)/b13-11+.
What are the key properties of 1-[(E)-2-(4-fluorophenyl)ethenyl]-3-[2-(4-methylphenyl)ethyl]urea?
1-[(E)-2-(4-fluorophenyl)ethenyl]-3-[2-(4-methylphenyl)ethyl]urea has a molecular weight of 298.36 g/mol, XLogP of 3.65, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-(4-fluorophenyl)ethenyl]-3-[2-(4-methylphenyl)ethyl]urea is sourced from PubChem (CID 108908257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).