1-[2-(3-chlorophenoxy)ethyl]-3-(3-chlorophenyl)-1-methylurea

C16H16Cl2N2O2 — CID 24528515

IUPAC1-[2-(3-chlorophenoxy)ethyl]-3-(3-chlorophenyl)-1-methylurea
SMILESCN(CCOc1cccc(Cl)c1)C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C16H16Cl2N2O2/c1-20(8-9-22-15-7-3-5-13(18)11-15)16(21)19-14-6-2-4-12(17)10-14/h2-7,10-11H,8-9H2,1H3,(H,19,21)
InChIKeyAUYIJCPEIQHLSX-UHFFFAOYSA-N
MW339.22 g/mol
LogP4.54
Rot. Bonds5

About 1-[2-(3-chlorophenoxy)ethyl]-3-(3-chlorophenyl)-1-methylurea

1-[2-(3-chlorophenoxy)ethyl]-3-(3-chlorophenyl)-1-methylurea (PubChem CID 24528515) has the molecular formula C16H16Cl2N2O2 and a molecular weight of 339.22 g/mol. Its IUPAC name is 1-[2-(3-chlorophenoxy)ethyl]-3-(3-chlorophenyl)-1-methylurea.

Molecular Properties

Compound Name1-[2-(3-chlorophenoxy)ethyl]-3-(3-chlorophenyl)-1-methylurea
PubChem CID24528515
Molecular FormulaC16H16Cl2N2O2
Molecular Weight339.22 g/mol
Exact Mass338.06
IUPAC Name1-[2-(3-chlorophenoxy)ethyl]-3-(3-chlorophenyl)-1-methylurea
SMILESCN(CCOc1cccc(Cl)c1)C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C16H16Cl2N2O2/c1-20(8-9-22-15-7-3-5-13(18)11-15)16(21)19-14-6-2-4-12(17)10-14/h2-7,10-11H,8-9H2,1H3,(H,19,21)
InChIKeyAUYIJCPEIQHLSX-UHFFFAOYSA-N
XLogP4.54
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.22
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(3-chlorophenoxy)ethyl]-1-methyl-3-[3-(oxan-4-ylsulfanylmethyl)phenyl]urea
CID 86962699
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3-(3-ethoxyphenyl)-1-(2-hydroxyethyl)-1-methylurea
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N-[2-(3-chlorophenoxy)ethyl]-N-methylprop-2-enamide
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1-[2-(3-chlorophenoxy)ethyl]-1-methyl-3-(2-piperidin-1-ylphenyl)urea
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3-[4-(3-chlorophenoxy)phenyl]-1-(2-hydroxyethyl)-1-methylurea
CID 111431565
1-[2-(4-chlorophenoxy)ethyl]-1-methyl-3-pyridin-3-ylurea
CID 18101732
1-methyl-1-[2-(3-methylphenoxy)ethyl]-3-pyridin-3-ylurea
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1-methyl-1-(2-phenoxyethyl)-3-(3-sulfamoylphenyl)urea
CID 38147908
1-(3-chlorophenyl)-3-(3-propoxyphenyl)urea
CID 17096715
N-[2-(3-chlorophenoxy)ethyl]-3-(methanesulfonamido)-N-methylbenzamide
CID 18119830
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CID 55110390

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chlorophenoxy)ethyl]-3-(3-chlorophenyl)-1-methylurea?
The IUPAC name of 1-[2-(3-chlorophenoxy)ethyl]-3-(3-chlorophenyl)-1-methylurea (CID 24528515) is 1-[2-(3-chlorophenoxy)ethyl]-3-(3-chlorophenyl)-1-methylurea.
What is the SMILES notation for 1-[2-(3-chlorophenoxy)ethyl]-3-(3-chlorophenyl)-1-methylurea?
The canonical SMILES for 1-[2-(3-chlorophenoxy)ethyl]-3-(3-chlorophenyl)-1-methylurea is CN(CCOc1cccc(Cl)c1)C(=O)Nc1cccc(Cl)c1.
What is the InChIKey of 1-[2-(3-chlorophenoxy)ethyl]-3-(3-chlorophenyl)-1-methylurea?
The InChIKey is AUYIJCPEIQHLSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O2/c1-20(8-9-22-15-7-3-5-13(18)11-15)16(21)19-14-6-2-4-12(17)10-14/h2-7,10-11H,8-9H2,1H3,(H,19,21).
What are the key properties of 1-[2-(3-chlorophenoxy)ethyl]-3-(3-chlorophenyl)-1-methylurea?
1-[2-(3-chlorophenoxy)ethyl]-3-(3-chlorophenyl)-1-methylurea has a molecular weight of 339.22 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-chlorophenoxy)ethyl]-3-(3-chlorophenyl)-1-methylurea is sourced from PubChem (CID 24528515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).