1-(3-chloro-4-fluorophenyl)-3-[(E)-2-cyclohexylethenyl]urea

C15H18ClFN2O — CID 108912236

IUPAC1-(3-chloro-4-fluorophenyl)-3-[(E)-2-cyclohexylethenyl]urea
SMILESO=C(N/C=C/C1CCCCC1)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C15H18ClFN2O/c16-13-10-12(6-7-14(13)17)19-15(20)18-9-8-11-4-2-1-3-5-11/h6-11H,1-5H2,(H2,18,19,20)/b9-8+
InChIKeyXWWRCSPFHJISGN-CMDGGOBGSA-N
MW296.77 g/mol
LogP4.69
Rot. Bonds3

About 1-(3-chloro-4-fluorophenyl)-3-[(E)-2-cyclohexylethenyl]urea

1-(3-chloro-4-fluorophenyl)-3-[(E)-2-cyclohexylethenyl]urea (PubChem CID 108912236) has the molecular formula C15H18ClFN2O and a molecular weight of 296.77 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)-3-[(E)-2-cyclohexylethenyl]urea.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)-3-[(E)-2-cyclohexylethenyl]urea
PubChem CID108912236
Molecular FormulaC15H18ClFN2O
Molecular Weight296.77 g/mol
Exact Mass296.11
IUPAC Name1-(3-chloro-4-fluorophenyl)-3-[(E)-2-cyclohexylethenyl]urea
SMILESO=C(N/C=C/C1CCCCC1)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C15H18ClFN2O/c16-13-10-12(6-7-14(13)17)19-15(20)18-9-8-11-4-2-1-3-5-11/h6-11H,1-5H2,(H2,18,19,20)/b9-8+
InChIKeyXWWRCSPFHJISGN-CMDGGOBGSA-N
XLogP4.69
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.77
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 1-(3-chloro-4-fluorophenyl)-3-[(E)-2-cyclohexylethenyl]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-cyclopropylethenyl]-3-(3,4-dichlorophenyl)urea
CID 108915680
1-[(E)-2-cyclohexylethenyl]-3-(3,5-dichlorophenyl)urea
CID 108912245
1-(3-chloro-4-fluorophenyl)-3-[(E)-2-(2-fluorophenyl)ethenyl]urea
CID 108904433
1-(4-aminophenyl)-3-[(E)-2-cyclopentylethenyl]urea
CID 108911622
1-[(E)-2-cyclohexylethenyl]-3-(4-methoxyphenyl)urea
CID 108912023
N-(3-chloro-4-fluorophenyl)cyclopentanecarboxamide
CID 845055
1-[(E)-2-cyclopropylethenyl]-3-naphthalen-2-ylurea
CID 108915883
1-(3-chloro-4-fluorophenyl)-3-[(E)-2-(4-methoxyphenyl)ethenyl]urea
CID 108907784
1-(4-chloro-2-methoxy-5-methylphenyl)-3-[(E)-2-cyclohexylethenyl]urea
CID 108912284
1-(3-chloro-4-fluorophenyl)-3-cycloheptylthiourea
CID 8669396
1-(3-chloro-4-fluorophenyl)-3-[1-(hydroxymethyl)cyclopentyl]urea
CID 111925826
1-(3-chloro-4-fluorophenyl)-3-(3-chlorophenyl)urea
CID 742623

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)-3-[(E)-2-cyclohexylethenyl]urea?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)-3-[(E)-2-cyclohexylethenyl]urea (CID 108912236) is 1-(3-chloro-4-fluorophenyl)-3-[(E)-2-cyclohexylethenyl]urea.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)-3-[(E)-2-cyclohexylethenyl]urea?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)-3-[(E)-2-cyclohexylethenyl]urea is O=C(N/C=C/C1CCCCC1)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)-3-[(E)-2-cyclohexylethenyl]urea?
The InChIKey is XWWRCSPFHJISGN-CMDGGOBGSA-N. The full InChI is InChI=1S/C15H18ClFN2O/c16-13-10-12(6-7-14(13)17)19-15(20)18-9-8-11-4-2-1-3-5-11/h6-11H,1-5H2,(H2,18,19,20)/b9-8+.
What are the key properties of 1-(3-chloro-4-fluorophenyl)-3-[(E)-2-cyclohexylethenyl]urea?
1-(3-chloro-4-fluorophenyl)-3-[(E)-2-cyclohexylethenyl]urea has a molecular weight of 296.77 g/mol, XLogP of 4.69, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)-3-[(E)-2-cyclohexylethenyl]urea is sourced from PubChem (CID 108912236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).