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

C17H18Cl2N2O2 — CID 112973750

IUPAC1-(2,4-dichlorophenyl)-3-[2-(2,4-dimethylphenoxy)ethyl]urea
SMILESCc1ccc(OCCNC(=O)Nc2ccc(Cl)cc2Cl)c(C)c1
InChIInChI=1S/C17H18Cl2N2O2/c1-11-3-6-16(12(2)9-11)23-8-7-20-17(22)21-15-5-4-13(18)10-14(15)19/h3-6,9-10H,7-8H2,1-2H3,(H2,20,21,22)
InChIKeyWAVSXKMCJJJIPI-UHFFFAOYSA-N
MW353.25 g/mol
LogP4.81
Rot. Bonds5

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

1-(2,4-dichlorophenyl)-3-[2-(2,4-dimethylphenoxy)ethyl]urea (PubChem CID 112973750) has the molecular formula C17H18Cl2N2O2 and a molecular weight of 353.25 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-3-[2-(2,4-dimethylphenoxy)ethyl]urea.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-3-[2-(2,4-dimethylphenoxy)ethyl]urea
PubChem CID112973750
Molecular FormulaC17H18Cl2N2O2
Molecular Weight353.25 g/mol
Exact Mass352.07
IUPAC Name1-(2,4-dichlorophenyl)-3-[2-(2,4-dimethylphenoxy)ethyl]urea
SMILESCc1ccc(OCCNC(=O)Nc2ccc(Cl)cc2Cl)c(C)c1
InChIInChI=1S/C17H18Cl2N2O2/c1-11-3-6-16(12(2)9-11)23-8-7-20-17(22)21-15-5-4-13(18)10-14(15)19/h3-6,9-10H,7-8H2,1-2H3,(H2,20,21,22)
InChIKeyWAVSXKMCJJJIPI-UHFFFAOYSA-N
XLogP4.81
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.25
LogP ≤ 54.81
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-(4-chlorophenyl)-3-[2-(2,4-dimethylphenoxy)ethyl]urea
CID 112973699
1-[2-(4-chlorophenoxy)ethyl]-3-(2,4-dimethylphenyl)urea
CID 52590780
1-(4-chloro-2-methylphenyl)-3-[2-(2-methylphenoxy)ethyl]urea
CID 112969838
1-(2,4-dichlorophenyl)-3-(2-ethoxyethyl)urea
CID 3314050
2-(4-chloro-2-methylphenoxy)-N-(2-chloro-4-methylphenyl)acetamide
CID 7926730
4-chloro-N-[2-(2,4-dimethylphenoxy)ethyl]-2-fluorobenzamide
CID 8531985
N-(2,4-dichlorophenyl)-4-(2,5-dimethylphenoxy)butanamide
CID 19176295
1-(2,4-dichlorophenyl)-3-[2-(3,4-difluorophenoxy)ethyl]urea
CID 112976443
1-(2-chlorophenyl)-3-[2-(2,4,5-trimethylphenoxy)ethyl]urea
CID 112974484
2-[(2,4-dichlorophenyl)carbamoylamino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 47032016
1-(4-chloro-2-methylphenyl)-3-[2-(3-methylphenoxy)ethyl]urea
CID 112969960
1-(3-bromo-4-methylphenyl)-3-[2-(2,4-dimethylphenoxy)ethyl]urea
CID 112973708

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-3-[2-(2,4-dimethylphenoxy)ethyl]urea?
The IUPAC name of 1-(2,4-dichlorophenyl)-3-[2-(2,4-dimethylphenoxy)ethyl]urea (CID 112973750) is 1-(2,4-dichlorophenyl)-3-[2-(2,4-dimethylphenoxy)ethyl]urea.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-3-[2-(2,4-dimethylphenoxy)ethyl]urea?
The canonical SMILES for 1-(2,4-dichlorophenyl)-3-[2-(2,4-dimethylphenoxy)ethyl]urea is Cc1ccc(OCCNC(=O)Nc2ccc(Cl)cc2Cl)c(C)c1.
What is the InChIKey of 1-(2,4-dichlorophenyl)-3-[2-(2,4-dimethylphenoxy)ethyl]urea?
The InChIKey is WAVSXKMCJJJIPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N2O2/c1-11-3-6-16(12(2)9-11)23-8-7-20-17(22)21-15-5-4-13(18)10-14(15)19/h3-6,9-10H,7-8H2,1-2H3,(H2,20,21,22).
What are the key properties of 1-(2,4-dichlorophenyl)-3-[2-(2,4-dimethylphenoxy)ethyl]urea?
1-(2,4-dichlorophenyl)-3-[2-(2,4-dimethylphenoxy)ethyl]urea has a molecular weight of 353.25 g/mol, XLogP of 4.81, 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-(2,4-dimethylphenoxy)ethyl]urea is sourced from PubChem (CID 112973750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).