1-(2,5-dichlorophenyl)-3-[2-(3-methoxyphenoxy)ethyl]urea

C16H16Cl2N2O3 — CID 112971615

IUPAC1-(2,5-dichlorophenyl)-3-[2-(3-methoxyphenoxy)ethyl]urea
SMILESCOc1cccc(OCCNC(=O)Nc2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C16H16Cl2N2O3/c1-22-12-3-2-4-13(10-12)23-8-7-19-16(21)20-15-9-11(17)5-6-14(15)18/h2-6,9-10H,7-8H2,1H3,(H2,19,20,21)
InChIKeyVCGVPZPYPDFKSK-UHFFFAOYSA-N
MW355.22 g/mol
LogP4.20
Rot. Bonds6

About 1-(2,5-dichlorophenyl)-3-[2-(3-methoxyphenoxy)ethyl]urea

1-(2,5-dichlorophenyl)-3-[2-(3-methoxyphenoxy)ethyl]urea (PubChem CID 112971615) has the molecular formula C16H16Cl2N2O3 and a molecular weight of 355.22 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)-3-[2-(3-methoxyphenoxy)ethyl]urea.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)-3-[2-(3-methoxyphenoxy)ethyl]urea
PubChem CID112971615
Molecular FormulaC16H16Cl2N2O3
Molecular Weight355.22 g/mol
Exact Mass354.05
IUPAC Name1-(2,5-dichlorophenyl)-3-[2-(3-methoxyphenoxy)ethyl]urea
SMILESCOc1cccc(OCCNC(=O)Nc2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C16H16Cl2N2O3/c1-22-12-3-2-4-13(10-12)23-8-7-19-16(21)20-15-9-11(17)5-6-14(15)18/h2-6,9-10H,7-8H2,1H3,(H2,19,20,21)
InChIKeyVCGVPZPYPDFKSK-UHFFFAOYSA-N
XLogP4.20
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.22
LogP ≤ 54.20
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-chlorophenyl)-3-[2-(3-methoxyphenoxy)ethyl]urea
CID 112971568
methyl 4-chloro-3-[2-(3-methoxyphenoxy)ethylcarbamoylamino]benzoate
CID 112971593
1-(2,5-dichlorophenyl)-3-[2-(3,4-difluorophenoxy)ethyl]urea
CID 112976444
1-(3-chloro-4-fluorophenyl)-3-[2-(3-methoxyphenoxy)ethyl]urea
CID 112971573
1-(5-chloro-2-methoxyphenyl)-3-[2-(3-methylphenoxy)ethyl]urea
CID 112969963
1-[2-(3-bromophenoxy)ethyl]-3-(5-chloro-2-methylphenyl)urea
CID 112971220
1-(5-chloro-2-methoxyphenyl)-3-[2-(4-chloro-3-methylphenoxy)ethyl]urea
CID 112976734
1-(2-chloro-4-methoxyphenyl)-3-(2-phenoxyethyl)urea
CID 86862844
1-(3-chloro-2-methylphenyl)-3-[2-(3,5-dimethoxyphenoxy)ethyl]urea
CID 112975702
1-(4-chloro-2-methylphenyl)-3-[2-(3-methylphenoxy)ethyl]urea
CID 112969960
1-(4-chloro-2,5-dimethoxyphenyl)-3-[2-(3-ethoxyphenoxy)ethyl]urea
CID 112973111
1-(5-chloro-2-hydroxyphenyl)-3-(2-phenoxyethyl)urea
CID 108887027

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)-3-[2-(3-methoxyphenoxy)ethyl]urea?
The IUPAC name of 1-(2,5-dichlorophenyl)-3-[2-(3-methoxyphenoxy)ethyl]urea (CID 112971615) is 1-(2,5-dichlorophenyl)-3-[2-(3-methoxyphenoxy)ethyl]urea.
What is the SMILES notation for 1-(2,5-dichlorophenyl)-3-[2-(3-methoxyphenoxy)ethyl]urea?
The canonical SMILES for 1-(2,5-dichlorophenyl)-3-[2-(3-methoxyphenoxy)ethyl]urea is COc1cccc(OCCNC(=O)Nc2cc(Cl)ccc2Cl)c1.
What is the InChIKey of 1-(2,5-dichlorophenyl)-3-[2-(3-methoxyphenoxy)ethyl]urea?
The InChIKey is VCGVPZPYPDFKSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O3/c1-22-12-3-2-4-13(10-12)23-8-7-19-16(21)20-15-9-11(17)5-6-14(15)18/h2-6,9-10H,7-8H2,1H3,(H2,19,20,21).
What are the key properties of 1-(2,5-dichlorophenyl)-3-[2-(3-methoxyphenoxy)ethyl]urea?
1-(2,5-dichlorophenyl)-3-[2-(3-methoxyphenoxy)ethyl]urea has a molecular weight of 355.22 g/mol, XLogP of 4.20, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)-3-[2-(3-methoxyphenoxy)ethyl]urea is sourced from PubChem (CID 112971615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).