1-[2-(3-chlorophenyl)ethyl]-3-[2-(3-ethoxyphenoxy)ethyl]urea

C19H23ClN2O3 — CID 112973017

IUPAC1-[2-(3-chlorophenyl)ethyl]-3-[2-(3-ethoxyphenoxy)ethyl]urea
SMILESCCOc1cccc(OCCNC(=O)NCCc2cccc(Cl)c2)c1
InChIInChI=1S/C19H23ClN2O3/c1-2-24-17-7-4-8-18(14-17)25-12-11-22-19(23)21-10-9-15-5-3-6-16(20)13-15/h3-8,13-14H,2,9-12H2,1H3,(H2,21,22,23)
InChIKeyHUMAEFLCJVMXTC-UHFFFAOYSA-N
MW362.86 g/mol
LogP3.66
Rot. Bonds9

About 1-[2-(3-chlorophenyl)ethyl]-3-[2-(3-ethoxyphenoxy)ethyl]urea

1-[2-(3-chlorophenyl)ethyl]-3-[2-(3-ethoxyphenoxy)ethyl]urea (PubChem CID 112973017) has the molecular formula C19H23ClN2O3 and a molecular weight of 362.86 g/mol. Its IUPAC name is 1-[2-(3-chlorophenyl)ethyl]-3-[2-(3-ethoxyphenoxy)ethyl]urea.

Molecular Properties

Compound Name1-[2-(3-chlorophenyl)ethyl]-3-[2-(3-ethoxyphenoxy)ethyl]urea
PubChem CID112973017
Molecular FormulaC19H23ClN2O3
Molecular Weight362.86 g/mol
Exact Mass362.14
IUPAC Name1-[2-(3-chlorophenyl)ethyl]-3-[2-(3-ethoxyphenoxy)ethyl]urea
SMILESCCOc1cccc(OCCNC(=O)NCCc2cccc(Cl)c2)c1
InChIInChI=1S/C19H23ClN2O3/c1-2-24-17-7-4-8-18(14-17)25-12-11-22-19(23)21-10-9-15-5-3-6-16(20)13-15/h3-8,13-14H,2,9-12H2,1H3,(H2,21,22,23)
InChIKeyHUMAEFLCJVMXTC-UHFFFAOYSA-N
XLogP3.66
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.86
LogP ≤ 53.66
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

1-[2-(3-chlorophenyl)ethyl]-3-[2-(2,6-dimethylphenoxy)ethyl]urea
CID 112973326
1-[2-(4-chloro-2-methylphenoxy)ethyl]-3-[2-(3-chlorophenyl)ethyl]urea
CID 112976538
1-[2-(3-chlorophenoxy)ethyl]-3-[(3-methylphenyl)methyl]urea
CID 112970737
1-butyl-3-[2-(3-ethoxyphenoxy)ethyl]urea
CID 112972940
1-[2-(3-chlorophenyl)ethyl]-3-(2-ethoxyphenyl)urea
CID 17283504
1-[2-(3-chlorophenyl)ethyl]-3-[2-(2-hydroxyethoxy)ethyl]urea
CID 108901434
N-[2-(3-chlorophenyl)ethyl]-3-(4-ethoxyanilino)propanamide
CID 109033241
3-[2-[[N-[2-(3-chlorophenoxy)ethyl]-N'-methylcarbamimidoyl]amino]ethyl]-N,N-dimethylbenzamide;hydroiodide
CID 111669353
1-[2-(3-chlorophenyl)ethyl]-3-[3-(2-methylphenoxy)propyl]urea
CID 108884020
2-(3-chlorophenoxy)-N-[2-(3,4-diethoxyphenyl)ethyl]acetamide
CID 7818885
methyl N-[2-(3-chlorophenoxy)ethyl]carbamate
CID 14496172
N-[2-(3-chlorophenoxy)ethyl]acetamide;ethane
CID 177170822

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chlorophenyl)ethyl]-3-[2-(3-ethoxyphenoxy)ethyl]urea?
The IUPAC name of 1-[2-(3-chlorophenyl)ethyl]-3-[2-(3-ethoxyphenoxy)ethyl]urea (CID 112973017) is 1-[2-(3-chlorophenyl)ethyl]-3-[2-(3-ethoxyphenoxy)ethyl]urea.
What is the SMILES notation for 1-[2-(3-chlorophenyl)ethyl]-3-[2-(3-ethoxyphenoxy)ethyl]urea?
The canonical SMILES for 1-[2-(3-chlorophenyl)ethyl]-3-[2-(3-ethoxyphenoxy)ethyl]urea is CCOc1cccc(OCCNC(=O)NCCc2cccc(Cl)c2)c1.
What is the InChIKey of 1-[2-(3-chlorophenyl)ethyl]-3-[2-(3-ethoxyphenoxy)ethyl]urea?
The InChIKey is HUMAEFLCJVMXTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O3/c1-2-24-17-7-4-8-18(14-17)25-12-11-22-19(23)21-10-9-15-5-3-6-16(20)13-15/h3-8,13-14H,2,9-12H2,1H3,(H2,21,22,23).
What are the key properties of 1-[2-(3-chlorophenyl)ethyl]-3-[2-(3-ethoxyphenoxy)ethyl]urea?
1-[2-(3-chlorophenyl)ethyl]-3-[2-(3-ethoxyphenoxy)ethyl]urea has a molecular weight of 362.86 g/mol, XLogP of 3.66, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-chlorophenyl)ethyl]-3-[2-(3-ethoxyphenoxy)ethyl]urea is sourced from PubChem (CID 112973017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).