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

C16H17ClN2O3 — CID 112971568

IUPAC1-(2-chlorophenyl)-3-[2-(3-methoxyphenoxy)ethyl]urea
SMILESCOc1cccc(OCCNC(=O)Nc2ccccc2Cl)c1
InChIInChI=1S/C16H17ClN2O3/c1-21-12-5-4-6-13(11-12)22-10-9-18-16(20)19-15-8-3-2-7-14(15)17/h2-8,11H,9-10H2,1H3,(H2,18,19,20)
InChIKeyALFGGJDAKJKZPF-UHFFFAOYSA-N
MW320.78 g/mol
LogP3.55
Rot. Bonds6

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

1-(2-chlorophenyl)-3-[2-(3-methoxyphenoxy)ethyl]urea (PubChem CID 112971568) has the molecular formula C16H17ClN2O3 and a molecular weight of 320.78 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-[2-(3-methoxyphenoxy)ethyl]urea.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-[2-(3-methoxyphenoxy)ethyl]urea
PubChem CID112971568
Molecular FormulaC16H17ClN2O3
Molecular Weight320.78 g/mol
Exact Mass320.09
IUPAC Name1-(2-chlorophenyl)-3-[2-(3-methoxyphenoxy)ethyl]urea
SMILESCOc1cccc(OCCNC(=O)Nc2ccccc2Cl)c1
InChIInChI=1S/C16H17ClN2O3/c1-21-12-5-4-6-13(11-12)22-10-9-18-16(20)19-15-8-3-2-7-14(15)17/h2-8,11H,9-10H2,1H3,(H2,18,19,20)
InChIKeyALFGGJDAKJKZPF-UHFFFAOYSA-N
XLogP3.55
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.78
LogP ≤ 53.55
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-(2,5-dichlorophenyl)-3-[2-(3-methoxyphenoxy)ethyl]urea
CID 112971615
1-[2-(3-tert-butylphenoxy)ethyl]-3-(2-chlorophenyl)urea
CID 112972760
1-(2-chloro-4-methoxyphenyl)-3-(2-phenoxyethyl)urea
CID 86862844
methyl 4-chloro-3-[2-(3-methoxyphenoxy)ethylcarbamoylamino]benzoate
CID 112971593
1-(3-chloro-2-methylphenyl)-3-[2-(3,5-dimethoxyphenoxy)ethyl]urea
CID 112975702
1-[2-(4-chlorophenoxy)ethyl]-3-(2-chlorophenyl)urea
CID 112970952
1-(3-chloro-4-fluorophenyl)-3-[2-(3-methoxyphenoxy)ethyl]urea
CID 112971573
1-[2-(4-tert-butylphenoxy)ethyl]-3-(2-chlorophenyl)urea
CID 112972893
1-(4-chloro-2,5-dimethoxyphenyl)-3-[2-(3-ethoxyphenoxy)ethyl]urea
CID 112973111
1-(2-chlorophenyl)-3-[3-(4-methylphenoxy)propyl]urea
CID 108881220
2-(2,6-dichlorophenyl)-N-[2-(3-methoxyphenoxy)ethyl]acetamide
CID 46449388
1-(2-chlorophenyl)-3-[2-(2,4,5-trimethylphenoxy)ethyl]urea
CID 112974484

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-[2-(3-methoxyphenoxy)ethyl]urea?
The IUPAC name of 1-(2-chlorophenyl)-3-[2-(3-methoxyphenoxy)ethyl]urea (CID 112971568) is 1-(2-chlorophenyl)-3-[2-(3-methoxyphenoxy)ethyl]urea.
What is the SMILES notation for 1-(2-chlorophenyl)-3-[2-(3-methoxyphenoxy)ethyl]urea?
The canonical SMILES for 1-(2-chlorophenyl)-3-[2-(3-methoxyphenoxy)ethyl]urea is COc1cccc(OCCNC(=O)Nc2ccccc2Cl)c1.
What is the InChIKey of 1-(2-chlorophenyl)-3-[2-(3-methoxyphenoxy)ethyl]urea?
The InChIKey is ALFGGJDAKJKZPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O3/c1-21-12-5-4-6-13(11-12)22-10-9-18-16(20)19-15-8-3-2-7-14(15)17/h2-8,11H,9-10H2,1H3,(H2,18,19,20).
What are the key properties of 1-(2-chlorophenyl)-3-[2-(3-methoxyphenoxy)ethyl]urea?
1-(2-chlorophenyl)-3-[2-(3-methoxyphenoxy)ethyl]urea has a molecular weight of 320.78 g/mol, XLogP of 3.55, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-[2-(3-methoxyphenoxy)ethyl]urea is sourced from PubChem (CID 112971568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).