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

C17H16ClFN2O — CID 108908555

IUPAC1-[(E)-2-(4-chlorophenyl)ethenyl]-3-[2-(4-fluorophenyl)ethyl]urea
SMILESO=C(N/C=C/c1ccc(Cl)cc1)NCCc1ccc(F)cc1
InChIInChI=1S/C17H16ClFN2O/c18-15-5-1-13(2-6-15)9-11-20-17(22)21-12-10-14-3-7-16(19)8-4-14/h1-9,11H,10,12H2,(H2,20,21,22)/b11-9+
InChIKeyAPYYVVQZOFXFDW-PKNBQFBNSA-N
MW318.78 g/mol
LogP3.99
Rot. Bonds5

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

1-[(E)-2-(4-chlorophenyl)ethenyl]-3-[2-(4-fluorophenyl)ethyl]urea (PubChem CID 108908555) has the molecular formula C17H16ClFN2O and a molecular weight of 318.78 g/mol. Its IUPAC name is 1-[(E)-2-(4-chlorophenyl)ethenyl]-3-[2-(4-fluorophenyl)ethyl]urea.

Molecular Properties

Compound Name1-[(E)-2-(4-chlorophenyl)ethenyl]-3-[2-(4-fluorophenyl)ethyl]urea
PubChem CID108908555
Molecular FormulaC17H16ClFN2O
Molecular Weight318.78 g/mol
Exact Mass318.09
IUPAC Name1-[(E)-2-(4-chlorophenyl)ethenyl]-3-[2-(4-fluorophenyl)ethyl]urea
SMILESO=C(N/C=C/c1ccc(Cl)cc1)NCCc1ccc(F)cc1
InChIInChI=1S/C17H16ClFN2O/c18-15-5-1-13(2-6-15)9-11-20-17(22)21-12-10-14-3-7-16(19)8-4-14/h1-9,11H,10,12H2,(H2,20,21,22)/b11-9+
InChIKeyAPYYVVQZOFXFDW-PKNBQFBNSA-N
XLogP3.99
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.78
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 1-[(E)-2-(4-chlorophenyl)ethenyl]-3-[2-(4-fluorophenyl)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-fluorophenyl)ethenyl]-3-[2-(4-methylphenyl)ethyl]urea
CID 108908257
1-[(E)-2-(4-bromophenyl)ethenyl]-3-[2-(4-chlorophenyl)ethyl]urea
CID 108908999
1-[(4-chlorophenyl)methyl]-3-[2-(4-fluorophenyl)ethyl]urea
CID 46555601
(E)-3-(4-chlorophenyl)-N-[3-(4-fluorophenyl)propyl]prop-2-enamide
CID 99998398
1-[(E)-2-(4-chlorophenyl)ethenyl]-3-propylurea
CID 108908294
1-[(E)-2-(4-fluorophenyl)ethenyl]-3-(3-hydroxypropyl)urea
CID 108908089
N-[2-(4-chlorophenyl)ethyl]-2-(4-fluorophenyl)acetamide
CID 26516329
1-[(E)-but-1-enyl]-3-[2-(4-chlorophenyl)ethyl]urea
CID 108910845
N-[2-(4-chlorophenyl)ethyl]-4-fluorobenzamide
CID 737426
1-[2-(4-chlorophenyl)ethyl]-3-[(E)-3-methylbut-1-enyl]urea
CID 108911218
1-[2-(4-bromophenyl)ethyl]-3-[(E)-2-(3-chlorophenyl)ethenyl]urea
CID 108906770
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-chlorophenyl)ethenyl]-3-[2-(4-fluorophenyl)ethyl]urea?
The IUPAC name of 1-[(E)-2-(4-chlorophenyl)ethenyl]-3-[2-(4-fluorophenyl)ethyl]urea (CID 108908555) is 1-[(E)-2-(4-chlorophenyl)ethenyl]-3-[2-(4-fluorophenyl)ethyl]urea.
What is the SMILES notation for 1-[(E)-2-(4-chlorophenyl)ethenyl]-3-[2-(4-fluorophenyl)ethyl]urea?
The canonical SMILES for 1-[(E)-2-(4-chlorophenyl)ethenyl]-3-[2-(4-fluorophenyl)ethyl]urea is O=C(N/C=C/c1ccc(Cl)cc1)NCCc1ccc(F)cc1.
What is the InChIKey of 1-[(E)-2-(4-chlorophenyl)ethenyl]-3-[2-(4-fluorophenyl)ethyl]urea?
The InChIKey is APYYVVQZOFXFDW-PKNBQFBNSA-N. The full InChI is InChI=1S/C17H16ClFN2O/c18-15-5-1-13(2-6-15)9-11-20-17(22)21-12-10-14-3-7-16(19)8-4-14/h1-9,11H,10,12H2,(H2,20,21,22)/b11-9+.
What are the key properties of 1-[(E)-2-(4-chlorophenyl)ethenyl]-3-[2-(4-fluorophenyl)ethyl]urea?
1-[(E)-2-(4-chlorophenyl)ethenyl]-3-[2-(4-fluorophenyl)ethyl]urea has a molecular weight of 318.78 g/mol, XLogP of 3.99, 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-chlorophenyl)ethenyl]-3-[2-(4-fluorophenyl)ethyl]urea is sourced from PubChem (CID 108908555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).