1-[2-(4-chlorophenoxy)ethyl]-3-(2-chlorophenyl)urea

C15H14Cl2N2O2 — CID 112970952

IUPAC1-[2-(4-chlorophenoxy)ethyl]-3-(2-chlorophenyl)urea
SMILESO=C(NCCOc1ccc(Cl)cc1)Nc1ccccc1Cl
InChIInChI=1S/C15H14Cl2N2O2/c16-11-5-7-12(8-6-11)21-10-9-18-15(20)19-14-4-2-1-3-13(14)17/h1-8H,9-10H2,(H2,18,19,20)
InChIKeyUXLIFLORYGHSLC-UHFFFAOYSA-N
MW325.19 g/mol
LogP4.19
Rot. Bonds5

About 1-[2-(4-chlorophenoxy)ethyl]-3-(2-chlorophenyl)urea

1-[2-(4-chlorophenoxy)ethyl]-3-(2-chlorophenyl)urea (PubChem CID 112970952) has the molecular formula C15H14Cl2N2O2 and a molecular weight of 325.19 g/mol. Its IUPAC name is 1-[2-(4-chlorophenoxy)ethyl]-3-(2-chlorophenyl)urea.

Molecular Properties

Compound Name1-[2-(4-chlorophenoxy)ethyl]-3-(2-chlorophenyl)urea
PubChem CID112970952
Molecular FormulaC15H14Cl2N2O2
Molecular Weight325.19 g/mol
Exact Mass324.04
IUPAC Name1-[2-(4-chlorophenoxy)ethyl]-3-(2-chlorophenyl)urea
SMILESO=C(NCCOc1ccc(Cl)cc1)Nc1ccccc1Cl
InChIInChI=1S/C15H14Cl2N2O2/c16-11-5-7-12(8-6-11)21-10-9-18-15(20)19-14-4-2-1-3-13(14)17/h1-8H,9-10H2,(H2,18,19,20)
InChIKeyUXLIFLORYGHSLC-UHFFFAOYSA-N
XLogP4.19
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.19
LogP ≤ 54.19
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-[2-(4-tert-butylphenoxy)ethyl]-3-(2-chlorophenyl)urea
CID 112972893
1-(2-chlorophenyl)-3-[3-(4-methylphenoxy)propyl]urea
CID 108881220
1-[2-(4-chlorophenoxy)ethyl]-3-[(2-chlorophenyl)methyl]urea
CID 112970907
1-(2-chlorophenyl)-3-[2-(3-methoxyphenoxy)ethyl]urea
CID 112971568
1-[2-(3-tert-butylphenoxy)ethyl]-3-(2-chlorophenyl)urea
CID 112972760
1-(2-chloro-4-methoxyphenyl)-3-(2-phenoxyethyl)urea
CID 86862844
1-(5-chloro-2-hydroxyphenyl)-3-(2-phenoxyethyl)urea
CID 108887027
1-(3-butoxypropyl)-3-(2-chlorophenyl)urea
CID 78793865
1-(2-chlorophenyl)-3-[2-(2,4,5-trimethylphenoxy)ethyl]urea
CID 112974484
1-(2,5-dichlorophenyl)-3-[2-(3,4-difluorophenoxy)ethyl]urea
CID 112976444
1-[2-(4-chlorophenoxy)ethyl]-3-(2,4-dimethylphenyl)urea
CID 52590780
1-(2,4-dichlorophenyl)-3-[2-(3,4-difluorophenoxy)ethyl]urea
CID 112976443

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenoxy)ethyl]-3-(2-chlorophenyl)urea?
The IUPAC name of 1-[2-(4-chlorophenoxy)ethyl]-3-(2-chlorophenyl)urea (CID 112970952) is 1-[2-(4-chlorophenoxy)ethyl]-3-(2-chlorophenyl)urea.
What is the SMILES notation for 1-[2-(4-chlorophenoxy)ethyl]-3-(2-chlorophenyl)urea?
The canonical SMILES for 1-[2-(4-chlorophenoxy)ethyl]-3-(2-chlorophenyl)urea is O=C(NCCOc1ccc(Cl)cc1)Nc1ccccc1Cl.
What is the InChIKey of 1-[2-(4-chlorophenoxy)ethyl]-3-(2-chlorophenyl)urea?
The InChIKey is UXLIFLORYGHSLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O2/c16-11-5-7-12(8-6-11)21-10-9-18-15(20)19-14-4-2-1-3-13(14)17/h1-8H,9-10H2,(H2,18,19,20).
What are the key properties of 1-[2-(4-chlorophenoxy)ethyl]-3-(2-chlorophenyl)urea?
1-[2-(4-chlorophenoxy)ethyl]-3-(2-chlorophenyl)urea has a molecular weight of 325.19 g/mol, XLogP of 4.19, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenoxy)ethyl]-3-(2-chlorophenyl)urea is sourced from PubChem (CID 112970952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).