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

C17H19ClN2O3 — CID 112970962

IUPAC1-[2-(4-chlorophenoxy)ethyl]-3-(4-ethoxyphenyl)urea
SMILESCCOc1ccc(NC(=O)NCCOc2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H19ClN2O3/c1-2-22-15-9-5-14(6-10-15)20-17(21)19-11-12-23-16-7-3-13(18)4-8-16/h3-10H,2,11-12H2,1H3,(H2,19,20,21)
InChIKeyZPJZNACFZNOYFR-UHFFFAOYSA-N
MW334.80 g/mol
LogP3.94
Rot. Bonds7

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

1-[2-(4-chlorophenoxy)ethyl]-3-(4-ethoxyphenyl)urea (PubChem CID 112970962) has the molecular formula C17H19ClN2O3 and a molecular weight of 334.80 g/mol. Its IUPAC name is 1-[2-(4-chlorophenoxy)ethyl]-3-(4-ethoxyphenyl)urea.

Molecular Properties

Compound Name1-[2-(4-chlorophenoxy)ethyl]-3-(4-ethoxyphenyl)urea
PubChem CID112970962
Molecular FormulaC17H19ClN2O3
Molecular Weight334.80 g/mol
Exact Mass334.11
IUPAC Name1-[2-(4-chlorophenoxy)ethyl]-3-(4-ethoxyphenyl)urea
SMILESCCOc1ccc(NC(=O)NCCOc2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H19ClN2O3/c1-2-22-15-9-5-14(6-10-15)20-17(21)19-11-12-23-16-7-3-13(18)4-8-16/h3-10H,2,11-12H2,1H3,(H2,19,20,21)
InChIKeyZPJZNACFZNOYFR-UHFFFAOYSA-N
XLogP3.94
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.80
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[2-(4-ethoxyphenoxy)ethylcarbamoylamino]phenyl]acetamide
CID 112973214
1-(4-chlorophenyl)-3-[(4-ethoxyphenoxy)methyl]urea
CID 108890719
1-[2-(4-chlorophenoxy)ethyl]-3-(3-ethoxy-4-methoxyphenyl)urea
CID 52642986
1-[2-(3,5-dimethoxyphenoxy)ethyl]-3-(4-ethoxyphenyl)urea
CID 112975715
1-[2-(4-chlorophenoxy)ethyl]-3-(3,4-difluorophenyl)urea
CID 112971005
1-(3-bromo-4-methylphenyl)-3-[2-(4-ethoxyphenoxy)ethyl]urea
CID 112973207
1-[4-[(4-chlorophenyl)methoxy]phenyl]-3-propylurea
CID 108987803
1-[2-(4-ethoxyphenoxy)ethyl]-3-(3-methylphenyl)urea
CID 27871438
1-[4-(2-aminoethoxy)phenyl]-3-propylurea
CID 43175658
1-(4-ethoxyphenyl)-3-[2-(2-propan-2-ylphenoxy)ethyl]urea
CID 112972292
3-(4-chlorophenyl)-1-[2-[(4-ethoxyphenyl)carbamoylamino]ethyl]-1-(4-fluorophenyl)urea
CID 42705518
N-[4-[2-(4-fluorophenoxy)ethylcarbamoylamino]phenyl]acetamide
CID 52595243

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenoxy)ethyl]-3-(4-ethoxyphenyl)urea?
The IUPAC name of 1-[2-(4-chlorophenoxy)ethyl]-3-(4-ethoxyphenyl)urea (CID 112970962) is 1-[2-(4-chlorophenoxy)ethyl]-3-(4-ethoxyphenyl)urea.
What is the SMILES notation for 1-[2-(4-chlorophenoxy)ethyl]-3-(4-ethoxyphenyl)urea?
The canonical SMILES for 1-[2-(4-chlorophenoxy)ethyl]-3-(4-ethoxyphenyl)urea is CCOc1ccc(NC(=O)NCCOc2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-[2-(4-chlorophenoxy)ethyl]-3-(4-ethoxyphenyl)urea?
The InChIKey is ZPJZNACFZNOYFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O3/c1-2-22-15-9-5-14(6-10-15)20-17(21)19-11-12-23-16-7-3-13(18)4-8-16/h3-10H,2,11-12H2,1H3,(H2,19,20,21).
What are the key properties of 1-[2-(4-chlorophenoxy)ethyl]-3-(4-ethoxyphenyl)urea?
1-[2-(4-chlorophenoxy)ethyl]-3-(4-ethoxyphenyl)urea has a molecular weight of 334.80 g/mol, XLogP of 3.94, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenoxy)ethyl]-3-(4-ethoxyphenyl)urea is sourced from PubChem (CID 112970962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).