1-[2-(4-chloro-3-methylphenoxy)ethyl]-3-(4-ethylphenyl)urea

C18H21ClN2O2 — CID 112976719

IUPAC1-[2-(4-chloro-3-methylphenoxy)ethyl]-3-(4-ethylphenyl)urea
SMILESCCc1ccc(NC(=O)NCCOc2ccc(Cl)c(C)c2)cc1
InChIInChI=1S/C18H21ClN2O2/c1-3-14-4-6-15(7-5-14)21-18(22)20-10-11-23-16-8-9-17(19)13(2)12-16/h4-9,12H,3,10-11H2,1-2H3,(H2,20,21,22)
InChIKeyGMGRUWNHGZMLOP-UHFFFAOYSA-N
MW332.83 g/mol
LogP4.41
Rot. Bonds6

About 1-[2-(4-chloro-3-methylphenoxy)ethyl]-3-(4-ethylphenyl)urea

1-[2-(4-chloro-3-methylphenoxy)ethyl]-3-(4-ethylphenyl)urea (PubChem CID 112976719) has the molecular formula C18H21ClN2O2 and a molecular weight of 332.83 g/mol. Its IUPAC name is 1-[2-(4-chloro-3-methylphenoxy)ethyl]-3-(4-ethylphenyl)urea.

Molecular Properties

Compound Name1-[2-(4-chloro-3-methylphenoxy)ethyl]-3-(4-ethylphenyl)urea
PubChem CID112976719
Molecular FormulaC18H21ClN2O2
Molecular Weight332.83 g/mol
Exact Mass332.13
IUPAC Name1-[2-(4-chloro-3-methylphenoxy)ethyl]-3-(4-ethylphenyl)urea
SMILESCCc1ccc(NC(=O)NCCOc2ccc(Cl)c(C)c2)cc1
InChIInChI=1S/C18H21ClN2O2/c1-3-14-4-6-15(7-5-14)21-18(22)20-10-11-23-16-8-9-17(19)13(2)12-16/h4-9,12H,3,10-11H2,1-2H3,(H2,20,21,22)
InChIKeyGMGRUWNHGZMLOP-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

2-(4-chloro-3-methylphenoxy)-N-(4-ethylphenyl)acetamide
CID 841196
1-(4-bromophenyl)-3-[2-(4-ethylphenoxy)ethyl]urea
CID 112972120
1-(4-ethylphenyl)-3-[2-(4-fluorophenoxy)ethyl]urea
CID 112970481
1-[2-(3,4-dimethylphenoxy)ethyl]-3-(3,4-dimethylphenyl)urea
CID 112974155
1-(4-tert-butylphenyl)-3-[2-(4-ethylphenoxy)ethyl]urea
CID 112972107
methyl 4-chloro-3-[2-(4-chloro-3-methylphenoxy)ethylcarbamoylamino]benzoate
CID 112976758
1-[4-(dimethylamino)phenyl]-3-[2-(4-ethylphenoxy)ethyl]urea
CID 112972144
1-[2-(3-tert-butylphenoxy)ethyl]-3-(4-ethylphenyl)urea
CID 112972756
methyl 4-chloro-3-[2-(4-ethylphenoxy)ethylcarbamoylamino]benzoate
CID 112972143
1-(4-bromophenyl)-3-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]urea
CID 112977212
1-(5-chloro-2-methoxyphenyl)-3-[2-(4-chloro-3-methylphenoxy)ethyl]urea
CID 112976734
1-[2-(4-ethylphenoxy)ethyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 112972181

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chloro-3-methylphenoxy)ethyl]-3-(4-ethylphenyl)urea?
The IUPAC name of 1-[2-(4-chloro-3-methylphenoxy)ethyl]-3-(4-ethylphenyl)urea (CID 112976719) is 1-[2-(4-chloro-3-methylphenoxy)ethyl]-3-(4-ethylphenyl)urea.
What is the SMILES notation for 1-[2-(4-chloro-3-methylphenoxy)ethyl]-3-(4-ethylphenyl)urea?
The canonical SMILES for 1-[2-(4-chloro-3-methylphenoxy)ethyl]-3-(4-ethylphenyl)urea is CCc1ccc(NC(=O)NCCOc2ccc(Cl)c(C)c2)cc1.
What is the InChIKey of 1-[2-(4-chloro-3-methylphenoxy)ethyl]-3-(4-ethylphenyl)urea?
The InChIKey is GMGRUWNHGZMLOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O2/c1-3-14-4-6-15(7-5-14)21-18(22)20-10-11-23-16-8-9-17(19)13(2)12-16/h4-9,12H,3,10-11H2,1-2H3,(H2,20,21,22).
What are the key properties of 1-[2-(4-chloro-3-methylphenoxy)ethyl]-3-(4-ethylphenyl)urea?
1-[2-(4-chloro-3-methylphenoxy)ethyl]-3-(4-ethylphenyl)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-(4-chloro-3-methylphenoxy)ethyl]-3-(4-ethylphenyl)urea is sourced from PubChem (CID 112976719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).