1-[2-(2-chlorophenoxy)ethyl]-3-(2-ethyl-6-methylphenyl)urea

C18H21ClN2O2 — CID 112970637

IUPAC1-[2-(2-chlorophenoxy)ethyl]-3-(2-ethyl-6-methylphenyl)urea
SMILESCCc1cccc(C)c1NC(=O)NCCOc1ccccc1Cl
InChIInChI=1S/C18H21ClN2O2/c1-3-14-8-6-7-13(2)17(14)21-18(22)20-11-12-23-16-10-5-4-9-15(16)19/h4-10H,3,11-12H2,1-2H3,(H2,20,21,22)
InChIKeySJMJXXMIIKIKAS-UHFFFAOYSA-N
MW332.83 g/mol
LogP4.41
Rot. Bonds6

About 1-[2-(2-chlorophenoxy)ethyl]-3-(2-ethyl-6-methylphenyl)urea

1-[2-(2-chlorophenoxy)ethyl]-3-(2-ethyl-6-methylphenyl)urea (PubChem CID 112970637) has the molecular formula C18H21ClN2O2 and a molecular weight of 332.83 g/mol. Its IUPAC name is 1-[2-(2-chlorophenoxy)ethyl]-3-(2-ethyl-6-methylphenyl)urea.

Molecular Properties

Compound Name1-[2-(2-chlorophenoxy)ethyl]-3-(2-ethyl-6-methylphenyl)urea
PubChem CID112970637
Molecular FormulaC18H21ClN2O2
Molecular Weight332.83 g/mol
Exact Mass332.13
IUPAC Name1-[2-(2-chlorophenoxy)ethyl]-3-(2-ethyl-6-methylphenyl)urea
SMILESCCc1cccc(C)c1NC(=O)NCCOc1ccccc1Cl
InChIInChI=1S/C18H21ClN2O2/c1-3-14-8-6-7-13(2)17(14)21-18(22)20-11-12-23-16-10-5-4-9-15(16)19/h4-10H,3,11-12H2,1-2H3,(H2,20,21,22)
InChIKeySJMJXXMIIKIKAS-UHFFFAOYSA-N
XLogP4.41
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.83
LogP ≤ 54.41
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-[3-(2-chlorophenoxy)propyl]-3-(2,6-dimethylphenyl)urea
CID 108883611
1-(2,6-diethylphenyl)-3-[3-(2-methylphenoxy)propyl]urea
CID 108883771
1-[3-(2-chlorophenoxy)propyl]-3-(2,4,6-trimethylphenyl)urea
CID 108883413
1-(2-ethyl-6-methylphenyl)-3-[2-(4-ethylphenoxy)ethyl]urea
CID 112972102
1-[2-(2-ethylphenoxy)ethyl]-3-(2,4,6-trimethylphenyl)urea
CID 112971734
1-(3-chloro-4-methylphenyl)-3-[2-(2-ethylphenoxy)ethyl]urea
CID 112971745
1-[2-(2-chlorophenoxy)ethyl]-3-(3-methylphenyl)urea
CID 112970623
1-(2-chlorophenyl)-3-(2-ethyl-6-methylphenyl)urea
CID 3704943
1-[2-(2-chlorophenoxy)ethyl]-3-phenylurea
CID 2972238
1-[3-(2-chlorophenoxy)propyl]-3-(2-ethoxyphenyl)urea
CID 108883575
1-butyl-3-(2-ethyl-6-methylphenyl)urea
CID 4278345
1-[2-(2-chloro-4-fluorophenoxy)ethyl]-3-(2-ethylphenyl)urea
CID 112977049

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chlorophenoxy)ethyl]-3-(2-ethyl-6-methylphenyl)urea?
The IUPAC name of 1-[2-(2-chlorophenoxy)ethyl]-3-(2-ethyl-6-methylphenyl)urea (CID 112970637) is 1-[2-(2-chlorophenoxy)ethyl]-3-(2-ethyl-6-methylphenyl)urea.
What is the SMILES notation for 1-[2-(2-chlorophenoxy)ethyl]-3-(2-ethyl-6-methylphenyl)urea?
The canonical SMILES for 1-[2-(2-chlorophenoxy)ethyl]-3-(2-ethyl-6-methylphenyl)urea is CCc1cccc(C)c1NC(=O)NCCOc1ccccc1Cl.
What is the InChIKey of 1-[2-(2-chlorophenoxy)ethyl]-3-(2-ethyl-6-methylphenyl)urea?
The InChIKey is SJMJXXMIIKIKAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O2/c1-3-14-8-6-7-13(2)17(14)21-18(22)20-11-12-23-16-10-5-4-9-15(16)19/h4-10H,3,11-12H2,1-2H3,(H2,20,21,22).
What are the key properties of 1-[2-(2-chlorophenoxy)ethyl]-3-(2-ethyl-6-methylphenyl)urea?
1-[2-(2-chlorophenoxy)ethyl]-3-(2-ethyl-6-methylphenyl)urea has a molecular weight of 332.83 g/mol, XLogP of 4.41, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chlorophenoxy)ethyl]-3-(2-ethyl-6-methylphenyl)urea is sourced from PubChem (CID 112970637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).