1-[2-(4-chlorophenoxy)ethyl]-3-(2,4-dimethylphenyl)urea

C17H19ClN2O2 — CID 52590780

IUPAC1-[2-(4-chlorophenoxy)ethyl]-3-(2,4-dimethylphenyl)urea
SMILESCc1ccc(NC(=O)NCCOc2ccc(Cl)cc2)c(C)c1
InChIInChI=1S/C17H19ClN2O2/c1-12-3-8-16(13(2)11-12)20-17(21)19-9-10-22-15-6-4-14(18)5-7-15/h3-8,11H,9-10H2,1-2H3,(H2,19,20,21)
InChIKeyUXTMIAGTRDATAK-UHFFFAOYSA-N
MW318.80 g/mol
LogP4.16
Rot. Bonds5

About 1-[2-(4-chlorophenoxy)ethyl]-3-(2,4-dimethylphenyl)urea

1-[2-(4-chlorophenoxy)ethyl]-3-(2,4-dimethylphenyl)urea (PubChem CID 52590780) has the molecular formula C17H19ClN2O2 and a molecular weight of 318.80 g/mol. Its IUPAC name is 1-[2-(4-chlorophenoxy)ethyl]-3-(2,4-dimethylphenyl)urea.

Molecular Properties

Compound Name1-[2-(4-chlorophenoxy)ethyl]-3-(2,4-dimethylphenyl)urea
PubChem CID52590780
Molecular FormulaC17H19ClN2O2
Molecular Weight318.80 g/mol
Exact Mass318.11
IUPAC Name1-[2-(4-chlorophenoxy)ethyl]-3-(2,4-dimethylphenyl)urea
SMILESCc1ccc(NC(=O)NCCOc2ccc(Cl)cc2)c(C)c1
InChIInChI=1S/C17H19ClN2O2/c1-12-3-8-16(13(2)11-12)20-17(21)19-9-10-22-15-6-4-14(18)5-7-15/h3-8,11H,9-10H2,1-2H3,(H2,19,20,21)
InChIKeyUXTMIAGTRDATAK-UHFFFAOYSA-N
XLogP4.16
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.80
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2,4-dimethylphenyl)-3-[2-(4-methylphenoxy)ethyl]urea
CID 112970080
1-(2,4-dimethylphenyl)-3-[2-(4-ethylphenoxy)ethyl]urea
CID 112972093
1-(4-chloro-2-methylphenyl)-3-[2-(3,4-dimethylphenoxy)ethyl]urea
CID 112974174
1-(4-chloro-2-methylphenyl)-3-[2-(3-methylphenoxy)ethyl]urea
CID 112969960
1-(2,4-dimethylphenyl)-3-[2-(3-ethoxyphenoxy)ethyl]urea
CID 112973028
1-(2,4-dimethylphenyl)-3-(2-methoxyethyl)urea
CID 5054028
1-(2,4-dichlorophenyl)-3-[2-(2,4-dimethylphenoxy)ethyl]urea
CID 112973750
3-[2-(4-chlorophenoxy)ethylcarbamoylamino]-4-methylbenzamide
CID 60602927
1-(4-chloro-2-methylphenyl)-3-[(4-methylphenoxy)methyl]urea
CID 108892964
1-(2,5-dimethylphenyl)-3-[2-(4-methoxyphenoxy)ethyl]urea
CID 108990551
1-[2-(1,3-benzodioxol-5-yloxy)ethyl]-3-(2,4-dimethylphenyl)urea
CID 112975159
1-(4-chloro-2-methylphenyl)-3-[2-(2,6-dimethylphenoxy)ethyl]urea
CID 112973357

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenoxy)ethyl]-3-(2,4-dimethylphenyl)urea?
The IUPAC name of 1-[2-(4-chlorophenoxy)ethyl]-3-(2,4-dimethylphenyl)urea (CID 52590780) is 1-[2-(4-chlorophenoxy)ethyl]-3-(2,4-dimethylphenyl)urea.
What is the SMILES notation for 1-[2-(4-chlorophenoxy)ethyl]-3-(2,4-dimethylphenyl)urea?
The canonical SMILES for 1-[2-(4-chlorophenoxy)ethyl]-3-(2,4-dimethylphenyl)urea is Cc1ccc(NC(=O)NCCOc2ccc(Cl)cc2)c(C)c1.
What is the InChIKey of 1-[2-(4-chlorophenoxy)ethyl]-3-(2,4-dimethylphenyl)urea?
The InChIKey is UXTMIAGTRDATAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O2/c1-12-3-8-16(13(2)11-12)20-17(21)19-9-10-22-15-6-4-14(18)5-7-15/h3-8,11H,9-10H2,1-2H3,(H2,19,20,21).
What are the key properties of 1-[2-(4-chlorophenoxy)ethyl]-3-(2,4-dimethylphenyl)urea?
1-[2-(4-chlorophenoxy)ethyl]-3-(2,4-dimethylphenyl)urea has a molecular weight of 318.80 g/mol, XLogP of 4.16, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenoxy)ethyl]-3-(2,4-dimethylphenyl)urea is sourced from PubChem (CID 52590780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).