1-(4-chloro-2,5-dimethoxyphenyl)-3-[2-(3-ethoxyphenoxy)ethyl]urea

C19H23ClN2O5 — CID 112973111

IUPAC1-(4-chloro-2,5-dimethoxyphenyl)-3-[2-(3-ethoxyphenoxy)ethyl]urea
SMILESCCOc1cccc(OCCNC(=O)Nc2cc(OC)c(Cl)cc2OC)c1
InChIInChI=1S/C19H23ClN2O5/c1-4-26-13-6-5-7-14(10-13)27-9-8-21-19(23)22-16-12-17(24-2)15(20)11-18(16)25-3/h5-7,10-12H,4,8-9H2,1-3H3,(H2,21,22,23)
InChIKeyDBUULRSXEPPILS-UHFFFAOYSA-N
MW394.86 g/mol
LogP3.96
Rot. Bonds9

About 1-(4-chloro-2,5-dimethoxyphenyl)-3-[2-(3-ethoxyphenoxy)ethyl]urea

1-(4-chloro-2,5-dimethoxyphenyl)-3-[2-(3-ethoxyphenoxy)ethyl]urea (PubChem CID 112973111) has the molecular formula C19H23ClN2O5 and a molecular weight of 394.86 g/mol. Its IUPAC name is 1-(4-chloro-2,5-dimethoxyphenyl)-3-[2-(3-ethoxyphenoxy)ethyl]urea.

Molecular Properties

Compound Name1-(4-chloro-2,5-dimethoxyphenyl)-3-[2-(3-ethoxyphenoxy)ethyl]urea
PubChem CID112973111
Molecular FormulaC19H23ClN2O5
Molecular Weight394.86 g/mol
Exact Mass394.13
IUPAC Name1-(4-chloro-2,5-dimethoxyphenyl)-3-[2-(3-ethoxyphenoxy)ethyl]urea
SMILESCCOc1cccc(OCCNC(=O)Nc2cc(OC)c(Cl)cc2OC)c1
InChIInChI=1S/C19H23ClN2O5/c1-4-26-13-6-5-7-14(10-13)27-9-8-21-19(23)22-16-12-17(24-2)15(20)11-18(16)25-3/h5-7,10-12H,4,8-9H2,1-3H3,(H2,21,22,23)
InChIKeyDBUULRSXEPPILS-UHFFFAOYSA-N
XLogP3.96
TPSA78.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.86
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(4-chloro-2-methoxy-5-methylphenyl)-3-[2-(3-fluorophenoxy)ethyl]urea
CID 112970434
1-(4-chloro-2-methoxy-5-methylphenyl)-3-[2-(3-propan-2-ylphenoxy)ethyl]urea
CID 112972492
1-(2-chlorophenyl)-3-[2-(3-methoxyphenoxy)ethyl]urea
CID 112971568
1-(2,5-dichlorophenyl)-3-[2-(3-methoxyphenoxy)ethyl]urea
CID 112971615
1-(5-chloro-2-methoxyphenyl)-3-[2-(3-methylphenoxy)ethyl]urea
CID 112969963
1-(2,4-dimethylphenyl)-3-[2-(3-ethoxyphenoxy)ethyl]urea
CID 112973028
N-[4-[2-(3-chlorophenoxy)ethylcarbamoylamino]-2-methoxyphenyl]acetamide
CID 55744579
methyl 4-chloro-3-[2-(3-methoxyphenoxy)ethylcarbamoylamino]benzoate
CID 112971593
1-(4-chloro-2-methoxy-5-methylphenyl)-3-[2-(4-propan-2-ylphenoxy)ethyl]urea
CID 112972651
1-(3-chloro-2-methylphenyl)-3-[2-(3,5-dimethoxyphenoxy)ethyl]urea
CID 112975702
1-[2-(3-bromophenoxy)ethyl]-3-(2-methoxy-5-methylphenyl)urea
CID 112971232
1-butyl-3-[2-(3-ethoxyphenoxy)ethyl]urea
CID 112972940

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2,5-dimethoxyphenyl)-3-[2-(3-ethoxyphenoxy)ethyl]urea?
The IUPAC name of 1-(4-chloro-2,5-dimethoxyphenyl)-3-[2-(3-ethoxyphenoxy)ethyl]urea (CID 112973111) is 1-(4-chloro-2,5-dimethoxyphenyl)-3-[2-(3-ethoxyphenoxy)ethyl]urea.
What is the SMILES notation for 1-(4-chloro-2,5-dimethoxyphenyl)-3-[2-(3-ethoxyphenoxy)ethyl]urea?
The canonical SMILES for 1-(4-chloro-2,5-dimethoxyphenyl)-3-[2-(3-ethoxyphenoxy)ethyl]urea is CCOc1cccc(OCCNC(=O)Nc2cc(OC)c(Cl)cc2OC)c1.
What is the InChIKey of 1-(4-chloro-2,5-dimethoxyphenyl)-3-[2-(3-ethoxyphenoxy)ethyl]urea?
The InChIKey is DBUULRSXEPPILS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O5/c1-4-26-13-6-5-7-14(10-13)27-9-8-21-19(23)22-16-12-17(24-2)15(20)11-18(16)25-3/h5-7,10-12H,4,8-9H2,1-3H3,(H2,21,22,23).
What are the key properties of 1-(4-chloro-2,5-dimethoxyphenyl)-3-[2-(3-ethoxyphenoxy)ethyl]urea?
1-(4-chloro-2,5-dimethoxyphenyl)-3-[2-(3-ethoxyphenoxy)ethyl]urea has a molecular weight of 394.86 g/mol, XLogP of 3.96, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2,5-dimethoxyphenyl)-3-[2-(3-ethoxyphenoxy)ethyl]urea is sourced from PubChem (CID 112973111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).