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

C13H17ClN2O — CID 108908327

IUPAC1-[(E)-2-(4-chlorophenyl)ethenyl]-3-(2-methylpropyl)urea
SMILESCC(C)CNC(=O)N/C=C/c1ccc(Cl)cc1
InChIInChI=1S/C13H17ClN2O/c1-10(2)9-16-13(17)15-8-7-11-3-5-12(14)6-4-11/h3-8,10H,9H2,1-2H3,(H2,15,16,17)/b8-7+
InChIKeyYISCALOGOJGJHO-BQYQJAHWSA-N
MW252.75 g/mol
LogP3.27
Rot. Bonds4

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

1-[(E)-2-(4-chlorophenyl)ethenyl]-3-(2-methylpropyl)urea (PubChem CID 108908327) has the molecular formula C13H17ClN2O and a molecular weight of 252.75 g/mol. Its IUPAC name is 1-[(E)-2-(4-chlorophenyl)ethenyl]-3-(2-methylpropyl)urea.

Molecular Properties

Compound Name1-[(E)-2-(4-chlorophenyl)ethenyl]-3-(2-methylpropyl)urea
PubChem CID108908327
Molecular FormulaC13H17ClN2O
Molecular Weight252.75 g/mol
Exact Mass252.10
IUPAC Name1-[(E)-2-(4-chlorophenyl)ethenyl]-3-(2-methylpropyl)urea
SMILESCC(C)CNC(=O)N/C=C/c1ccc(Cl)cc1
InChIInChI=1S/C13H17ClN2O/c1-10(2)9-16-13(17)15-8-7-11-3-5-12(14)6-4-11/h3-8,10H,9H2,1-2H3,(H2,15,16,17)/b8-7+
InChIKeyYISCALOGOJGJHO-BQYQJAHWSA-N
XLogP3.27
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.75
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(E)-2-(4-chlorophenyl)ethenyl]-3-(2,2-dimethoxyethyl)urea
CID 108908518
1-[(E)-2-(4-chlorophenyl)ethenyl]-3-propylurea
CID 108908294
1-[(E)-2-(4-bromophenyl)ethenyl]-3-(2-hydroxypropyl)urea
CID 108908805
1-[2-(4-chlorophenyl)ethenyl]-3-[(2-methoxyphenyl)methyl]urea
CID 3748194
1-[(E)-2-(4-chlorophenyl)ethenyl]-3-(3-ethoxypropyl)urea
CID 108908330
1-[(E)-2-(4-chlorophenyl)ethenyl]-3-cyclopropylurea
CID 108908546
1-[(E)-2-(4-chlorophenyl)ethenyl]-3-[1-(4-methoxyphenyl)ethyl]urea
CID 108908365
1-[(E)-2-(4-chlorophenyl)ethenyl]-3-[2-(4-fluorophenyl)ethyl]urea
CID 108908555
1-[(E)-2-(4-bromophenyl)ethenyl]-3-[2-(4-chlorophenyl)ethyl]urea
CID 108908999
1-[(E)-2-(4-chlorophenyl)ethenyl]-3-(4-ethoxyphenyl)urea
CID 108908387
1-(3-chloro-4-methylphenyl)-3-[(E)-2-(4-chlorophenyl)ethenyl]urea
CID 108908299
2-(4-chloroanilino)-N-(2-methylpropylcarbamoyl)acetamide
CID 26506580

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-(4-chlorophenyl)ethenyl]-3-(2-methylpropyl)urea?
The IUPAC name of 1-[(E)-2-(4-chlorophenyl)ethenyl]-3-(2-methylpropyl)urea (CID 108908327) is 1-[(E)-2-(4-chlorophenyl)ethenyl]-3-(2-methylpropyl)urea.
What is the SMILES notation for 1-[(E)-2-(4-chlorophenyl)ethenyl]-3-(2-methylpropyl)urea?
The canonical SMILES for 1-[(E)-2-(4-chlorophenyl)ethenyl]-3-(2-methylpropyl)urea is CC(C)CNC(=O)N/C=C/c1ccc(Cl)cc1.
What is the InChIKey of 1-[(E)-2-(4-chlorophenyl)ethenyl]-3-(2-methylpropyl)urea?
The InChIKey is YISCALOGOJGJHO-BQYQJAHWSA-N. The full InChI is InChI=1S/C13H17ClN2O/c1-10(2)9-16-13(17)15-8-7-11-3-5-12(14)6-4-11/h3-8,10H,9H2,1-2H3,(H2,15,16,17)/b8-7+.
What are the key properties of 1-[(E)-2-(4-chlorophenyl)ethenyl]-3-(2-methylpropyl)urea?
1-[(E)-2-(4-chlorophenyl)ethenyl]-3-(2-methylpropyl)urea has a molecular weight of 252.75 g/mol, XLogP of 3.27, 4 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-methylpropyl)urea is sourced from PubChem (CID 108908327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).