1-[2-(2-chlorophenyl)ethyl]-3-[(E)-2-cyclopentylethenyl]urea

C16H21ClN2O — CID 108911956

IUPAC1-[2-(2-chlorophenyl)ethyl]-3-[(E)-2-cyclopentylethenyl]urea
SMILESO=C(N/C=C/C1CCCC1)NCCc1ccccc1Cl
InChIInChI=1S/C16H21ClN2O/c17-15-8-4-3-7-14(15)10-12-19-16(20)18-11-9-13-5-1-2-6-13/h3-4,7-9,11,13H,1-2,5-6,10,12H2,(H2,18,19,20)/b11-9+
InChIKeyYECWMYCSWCJAPD-PKNBQFBNSA-N
MW292.81 g/mol
LogP3.89
Rot. Bonds5

About 1-[2-(2-chlorophenyl)ethyl]-3-[(E)-2-cyclopentylethenyl]urea

1-[2-(2-chlorophenyl)ethyl]-3-[(E)-2-cyclopentylethenyl]urea (PubChem CID 108911956) has the molecular formula C16H21ClN2O and a molecular weight of 292.81 g/mol. Its IUPAC name is 1-[2-(2-chlorophenyl)ethyl]-3-[(E)-2-cyclopentylethenyl]urea.

Molecular Properties

Compound Name1-[2-(2-chlorophenyl)ethyl]-3-[(E)-2-cyclopentylethenyl]urea
PubChem CID108911956
Molecular FormulaC16H21ClN2O
Molecular Weight292.81 g/mol
Exact Mass292.13
IUPAC Name1-[2-(2-chlorophenyl)ethyl]-3-[(E)-2-cyclopentylethenyl]urea
SMILESO=C(N/C=C/C1CCCC1)NCCc1ccccc1Cl
InChIInChI=1S/C16H21ClN2O/c17-15-8-4-3-7-14(15)10-12-19-16(20)18-11-9-13-5-1-2-6-13/h3-4,7-9,11,13H,1-2,5-6,10,12H2,(H2,18,19,20)/b11-9+
InChIKeyYECWMYCSWCJAPD-PKNBQFBNSA-N
XLogP3.89
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.81
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 1-[2-(2-chlorophenyl)ethyl]-3-[(E)-2-cyclopentylethenyl]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-cyclohexylethenyl]-3-[2-(2-methoxyphenyl)ethyl]urea
CID 108912327
1-[(E)-2-cyclopropylethenyl]-3-[2-(2-fluorophenyl)ethyl]urea
CID 108916003
1-[2-(2-chlorophenyl)ethyl]-3-(cyclohexylmethyl)urea
CID 108903046
1-[(E)-2-cyclopentylethenyl]-3-[2-(3-fluorophenyl)ethyl]urea
CID 108911960
1-[(E)-2-cyclopentylethenyl]-3-(2-ethylphenyl)urea
CID 108911860
N-[2-[2-(2-chlorophenyl)ethylcarbamoylamino]ethyl]acetamide
CID 47448428
N-[3-[2-(2-chlorophenyl)ethylcarbamoylamino]propyl]formamide
CID 108900336
1-[2-(2-chlorophenyl)ethyl]-3-(2-methylpropyl)urea
CID 108867353
N-[2-(2-chlorophenyl)ethyl]-8-hydroxy-3-azabicyclo[3.2.1]octane-3-carboxamide
CID 156608867
1-[2-(2-chlorophenyl)ethyl]-3-[(2-methylphenyl)methyl]urea
CID 60595877
1-[2-(2-chlorophenyl)ethyl]-3-pyrimidin-2-ylurea
CID 108900277
1-[2-(2-chlorophenyl)ethyl]-3-[2-(2-hydroxyethoxy)ethyl]urea
CID 108900299

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chlorophenyl)ethyl]-3-[(E)-2-cyclopentylethenyl]urea?
The IUPAC name of 1-[2-(2-chlorophenyl)ethyl]-3-[(E)-2-cyclopentylethenyl]urea (CID 108911956) is 1-[2-(2-chlorophenyl)ethyl]-3-[(E)-2-cyclopentylethenyl]urea.
What is the SMILES notation for 1-[2-(2-chlorophenyl)ethyl]-3-[(E)-2-cyclopentylethenyl]urea?
The canonical SMILES for 1-[2-(2-chlorophenyl)ethyl]-3-[(E)-2-cyclopentylethenyl]urea is O=C(N/C=C/C1CCCC1)NCCc1ccccc1Cl.
What is the InChIKey of 1-[2-(2-chlorophenyl)ethyl]-3-[(E)-2-cyclopentylethenyl]urea?
The InChIKey is YECWMYCSWCJAPD-PKNBQFBNSA-N. The full InChI is InChI=1S/C16H21ClN2O/c17-15-8-4-3-7-14(15)10-12-19-16(20)18-11-9-13-5-1-2-6-13/h3-4,7-9,11,13H,1-2,5-6,10,12H2,(H2,18,19,20)/b11-9+.
What are the key properties of 1-[2-(2-chlorophenyl)ethyl]-3-[(E)-2-cyclopentylethenyl]urea?
1-[2-(2-chlorophenyl)ethyl]-3-[(E)-2-cyclopentylethenyl]urea has a molecular weight of 292.81 g/mol, XLogP of 3.89, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chlorophenyl)ethyl]-3-[(E)-2-cyclopentylethenyl]urea is sourced from PubChem (CID 108911956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).