1-[(2,4-dichlorophenoxy)methyl]-3-(2-ethoxyphenyl)urea

C16H16Cl2N2O3 — CID 108881082

IUPAC1-[(2,4-dichlorophenoxy)methyl]-3-(2-ethoxyphenyl)urea
SMILESCCOc1ccccc1NC(=O)NCOc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H16Cl2N2O3/c1-2-22-15-6-4-3-5-13(15)20-16(21)19-10-23-14-8-7-11(17)9-12(14)18/h3-9H,2,10H2,1H3,(H2,19,20,21)
InChIKeyOHHXXJYTUDRIDG-UHFFFAOYSA-N
MW355.22 g/mol
LogP4.55
Rot. Bonds6

About 1-[(2,4-dichlorophenoxy)methyl]-3-(2-ethoxyphenyl)urea

1-[(2,4-dichlorophenoxy)methyl]-3-(2-ethoxyphenyl)urea (PubChem CID 108881082) has the molecular formula C16H16Cl2N2O3 and a molecular weight of 355.22 g/mol. Its IUPAC name is 1-[(2,4-dichlorophenoxy)methyl]-3-(2-ethoxyphenyl)urea.

Molecular Properties

Compound Name1-[(2,4-dichlorophenoxy)methyl]-3-(2-ethoxyphenyl)urea
PubChem CID108881082
Molecular FormulaC16H16Cl2N2O3
Molecular Weight355.22 g/mol
Exact Mass354.05
IUPAC Name1-[(2,4-dichlorophenoxy)methyl]-3-(2-ethoxyphenyl)urea
SMILESCCOc1ccccc1NC(=O)NCOc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H16Cl2N2O3/c1-2-22-15-6-4-3-5-13(15)20-16(21)19-10-23-14-8-7-11(17)9-12(14)18/h3-9H,2,10H2,1H3,(H2,19,20,21)
InChIKeyOHHXXJYTUDRIDG-UHFFFAOYSA-N
XLogP4.55
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 ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[(2,4-dichlorophenoxy)methyl]-3-(2-hydroxyphenyl)urea
CID 108880931
1-(2-chloro-3-pyridinyl)-3-[(2,4-dichlorophenoxy)methyl]urea
CID 108880972
1-[2-(3-chlorophenyl)ethyl]-3-(2-ethoxyphenyl)urea
CID 17283504
1-[(2,4-dichlorophenoxy)methyl]-3-ethylurea
CID 108880980
1-[(2,4-dichlorophenoxy)methyl]-3-(2,6-dimethylphenyl)urea
CID 108881118
1-(4-chloro-2-methylphenyl)-3-(2-ethoxyphenyl)urea
CID 108991826
1-[3-(2-chlorophenoxy)propyl]-3-(2-ethoxyphenyl)urea
CID 108883575
1-[(2,4-dichlorophenoxy)methyl]-3-(3-methoxyphenyl)urea
CID 108880965
1-[(2,4-dichlorophenoxy)methyl]-3-[(2-methylphenyl)methyl]urea
CID 108881154
ethyl 2-[(2,4-dichlorophenoxy)methylcarbamoylamino]acetate
CID 108881148
1-[(2,4-dichlorophenoxy)methyl]-3-(3-hydroxyphenyl)urea
CID 108880828
1-[(2-ethoxyphenoxy)methyl]-3-(2,3,4-trifluorophenyl)urea
CID 108877405

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dichlorophenoxy)methyl]-3-(2-ethoxyphenyl)urea?
The IUPAC name of 1-[(2,4-dichlorophenoxy)methyl]-3-(2-ethoxyphenyl)urea (CID 108881082) is 1-[(2,4-dichlorophenoxy)methyl]-3-(2-ethoxyphenyl)urea.
What is the SMILES notation for 1-[(2,4-dichlorophenoxy)methyl]-3-(2-ethoxyphenyl)urea?
The canonical SMILES for 1-[(2,4-dichlorophenoxy)methyl]-3-(2-ethoxyphenyl)urea is CCOc1ccccc1NC(=O)NCOc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-[(2,4-dichlorophenoxy)methyl]-3-(2-ethoxyphenyl)urea?
The InChIKey is OHHXXJYTUDRIDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O3/c1-2-22-15-6-4-3-5-13(15)20-16(21)19-10-23-14-8-7-11(17)9-12(14)18/h3-9H,2,10H2,1H3,(H2,19,20,21).
What are the key properties of 1-[(2,4-dichlorophenoxy)methyl]-3-(2-ethoxyphenyl)urea?
1-[(2,4-dichlorophenoxy)methyl]-3-(2-ethoxyphenyl)urea has a molecular weight of 355.22 g/mol, XLogP of 4.55, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dichlorophenoxy)methyl]-3-(2-ethoxyphenyl)urea is sourced from PubChem (CID 108881082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).