1-(2,4-dichlorophenyl)-3-(2-ethoxyethyl)urea

C11H14Cl2N2O2 — CID 3314050

IUPAC1-(2,4-dichlorophenyl)-3-(2-ethoxyethyl)urea
SMILESCCOCCNC(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C11H14Cl2N2O2/c1-2-17-6-5-14-11(16)15-10-4-3-8(12)7-9(10)13/h3-4,7H,2,5-6H2,1H3,(H2,14,15,16)
InChIKeyGXHZNDCLXFBDSR-UHFFFAOYSA-N
MW277.15 g/mol
LogP3.15
Rot. Bonds5

About 1-(2,4-dichlorophenyl)-3-(2-ethoxyethyl)urea

1-(2,4-dichlorophenyl)-3-(2-ethoxyethyl)urea (PubChem CID 3314050) has the molecular formula C11H14Cl2N2O2 and a molecular weight of 277.15 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-3-(2-ethoxyethyl)urea.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-3-(2-ethoxyethyl)urea
PubChem CID3314050
Molecular FormulaC11H14Cl2N2O2
Molecular Weight277.15 g/mol
Exact Mass276.04
IUPAC Name1-(2,4-dichlorophenyl)-3-(2-ethoxyethyl)urea
SMILESCCOCCNC(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C11H14Cl2N2O2/c1-2-17-6-5-14-11(16)15-10-4-3-8(12)7-9(10)13/h3-4,7H,2,5-6H2,1H3,(H2,14,15,16)
InChIKeyGXHZNDCLXFBDSR-UHFFFAOYSA-N
XLogP3.15
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.15
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(5-chloro-2-methylphenyl)-3-(2-ethoxyethyl)urea
CID 3671934
5-chloro-2-(2-ethoxyethylcarbamoylamino)benzoic acid
CID 61202362
1-(2,4-dichlorophenyl)-3-[3-(2-hydroxyethoxy)propyl]urea
CID 110019202
1-(2,4-dichlorophenyl)-3-(2,2-diethoxyethyl)urea
CID 3301738
1-(2,4-dichlorophenyl)-3-[2-(3,4-difluorophenoxy)ethyl]urea
CID 112976443
1-(2,4-dichlorophenyl)-3-[2-(2,4-dimethylphenoxy)ethyl]urea
CID 112973750
4-(2-ethoxyethylcarbamoylamino)-3-fluorobenzoic acid
CID 63190066
5-chloro-N-(2-ethoxyethyl)-2-hydrazinylbenzamide
CID 62234135
N'-(5-chloro-2-methylphenyl)-N-(2-ethoxyethyl)propanediamide
CID 131904454
N'-(2,4-dichlorophenyl)-N-(2-methoxyethyl)propanediamide
CID 108943222
1-(2,4-dichlorophenyl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea
CID 108874450
1-(2-ethoxyethyl)-3-(4-fluoro-2-methoxyphenyl)urea
CID 47248250

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-3-(2-ethoxyethyl)urea?
The IUPAC name of 1-(2,4-dichlorophenyl)-3-(2-ethoxyethyl)urea (CID 3314050) is 1-(2,4-dichlorophenyl)-3-(2-ethoxyethyl)urea.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-3-(2-ethoxyethyl)urea?
The canonical SMILES for 1-(2,4-dichlorophenyl)-3-(2-ethoxyethyl)urea is CCOCCNC(=O)Nc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenyl)-3-(2-ethoxyethyl)urea?
The InChIKey is GXHZNDCLXFBDSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2N2O2/c1-2-17-6-5-14-11(16)15-10-4-3-8(12)7-9(10)13/h3-4,7H,2,5-6H2,1H3,(H2,14,15,16).
What are the key properties of 1-(2,4-dichlorophenyl)-3-(2-ethoxyethyl)urea?
1-(2,4-dichlorophenyl)-3-(2-ethoxyethyl)urea has a molecular weight of 277.15 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-3-(2-ethoxyethyl)urea is sourced from PubChem (CID 3314050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).