1-(2,6-dichlorophenyl)-3-[2-(4-methoxyphenyl)ethyl]urea

C16H16Cl2N2O2 — CID 108902007

IUPAC1-(2,6-dichlorophenyl)-3-[2-(4-methoxyphenyl)ethyl]urea
SMILESCOc1ccc(CCNC(=O)Nc2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C16H16Cl2N2O2/c1-22-12-7-5-11(6-8-12)9-10-19-16(21)20-15-13(17)3-2-4-14(15)18/h2-8H,9-10H2,1H3,(H2,19,20,21)
InChIKeyOYTUHSOTPOZLEN-UHFFFAOYSA-N
MW339.22 g/mol
LogP4.37
Rot. Bonds5

About 1-(2,6-dichlorophenyl)-3-[2-(4-methoxyphenyl)ethyl]urea

1-(2,6-dichlorophenyl)-3-[2-(4-methoxyphenyl)ethyl]urea (PubChem CID 108902007) has the molecular formula C16H16Cl2N2O2 and a molecular weight of 339.22 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)-3-[2-(4-methoxyphenyl)ethyl]urea.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)-3-[2-(4-methoxyphenyl)ethyl]urea
PubChem CID108902007
Molecular FormulaC16H16Cl2N2O2
Molecular Weight339.22 g/mol
Exact Mass338.06
IUPAC Name1-(2,6-dichlorophenyl)-3-[2-(4-methoxyphenyl)ethyl]urea
SMILESCOc1ccc(CCNC(=O)Nc2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C16H16Cl2N2O2/c1-22-12-7-5-11(6-8-12)9-10-19-16(21)20-15-13(17)3-2-4-14(15)18/h2-8H,9-10H2,1H3,(H2,19,20,21)
InChIKeyOYTUHSOTPOZLEN-UHFFFAOYSA-N
XLogP4.37
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.22
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,6-dichlorophenyl)-3-[(4-methoxyphenyl)methyl]urea
CID 3407219
1-(2-chloro-6-fluorophenyl)-3-[2-(3-methoxyphenyl)ethyl]urea
CID 108896691
1-(2,6-dichlorophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 108989685
1-(3-chloro-4-methoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]urea
CID 108901858
N'-(3-chloro-2-methylphenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide
CID 7585293
1-[2-(4-methoxyphenyl)ethyl]-3-(4-methylphenyl)urea
CID 727799
1-(2-fluorophenyl)-3-[2-(4-methoxyphenyl)ethyl]urea
CID 3548825
1-[2-(4-methoxyphenyl)ethyl]-3-(4-phenylphenyl)urea
CID 108867012
1-[2-(4-methoxyphenyl)ethyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 108896191
2-(2-chloro-6-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 7769079
1-[2-(3-bromophenyl)ethyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 108901593
1-[2-(4-methoxyphenyl)ethyl]-3-[(3-methoxyphenyl)methyl]urea
CID 51290894

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)-3-[2-(4-methoxyphenyl)ethyl]urea?
The IUPAC name of 1-(2,6-dichlorophenyl)-3-[2-(4-methoxyphenyl)ethyl]urea (CID 108902007) is 1-(2,6-dichlorophenyl)-3-[2-(4-methoxyphenyl)ethyl]urea.
What is the SMILES notation for 1-(2,6-dichlorophenyl)-3-[2-(4-methoxyphenyl)ethyl]urea?
The canonical SMILES for 1-(2,6-dichlorophenyl)-3-[2-(4-methoxyphenyl)ethyl]urea is COc1ccc(CCNC(=O)Nc2c(Cl)cccc2Cl)cc1.
What is the InChIKey of 1-(2,6-dichlorophenyl)-3-[2-(4-methoxyphenyl)ethyl]urea?
The InChIKey is OYTUHSOTPOZLEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O2/c1-22-12-7-5-11(6-8-12)9-10-19-16(21)20-15-13(17)3-2-4-14(15)18/h2-8H,9-10H2,1H3,(H2,19,20,21).
What are the key properties of 1-(2,6-dichlorophenyl)-3-[2-(4-methoxyphenyl)ethyl]urea?
1-(2,6-dichlorophenyl)-3-[2-(4-methoxyphenyl)ethyl]urea has a molecular weight of 339.22 g/mol, XLogP of 4.37, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenyl)-3-[2-(4-methoxyphenyl)ethyl]urea is sourced from PubChem (CID 108902007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).