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

C16H16Cl2N2O2 — CID 108885405

IUPAC1-[(4-chlorophenoxy)methyl]-3-[2-(4-chlorophenyl)ethyl]urea
SMILESO=C(NCCc1ccc(Cl)cc1)NCOc1ccc(Cl)cc1
InChIInChI=1S/C16H16Cl2N2O2/c17-13-3-1-12(2-4-13)9-10-19-16(21)20-11-22-15-7-5-14(18)6-8-15/h1-8H,9-11H2,(H2,19,20,21)
InChIKeyKFWDFZLQFRNOJS-UHFFFAOYSA-N
MW339.22 g/mol
LogP3.87
Rot. Bonds6

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

1-[(4-chlorophenoxy)methyl]-3-[2-(4-chlorophenyl)ethyl]urea (PubChem CID 108885405) has the molecular formula C16H16Cl2N2O2 and a molecular weight of 339.22 g/mol. Its IUPAC name is 1-[(4-chlorophenoxy)methyl]-3-[2-(4-chlorophenyl)ethyl]urea.

Molecular Properties

Compound Name1-[(4-chlorophenoxy)methyl]-3-[2-(4-chlorophenyl)ethyl]urea
PubChem CID108885405
Molecular FormulaC16H16Cl2N2O2
Molecular Weight339.22 g/mol
Exact Mass338.06
IUPAC Name1-[(4-chlorophenoxy)methyl]-3-[2-(4-chlorophenyl)ethyl]urea
SMILESO=C(NCCc1ccc(Cl)cc1)NCOc1ccc(Cl)cc1
InChIInChI=1S/C16H16Cl2N2O2/c17-13-3-1-12(2-4-13)9-10-19-16(21)20-11-22-15-7-5-14(18)6-8-15/h1-8H,9-11H2,(H2,19,20,21)
InChIKeyKFWDFZLQFRNOJS-UHFFFAOYSA-N
XLogP3.87
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.22
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[(4-chlorophenoxy)methyl]-3-[2-(4-chlorophenyl)ethyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(4-chlorophenyl)ethyl]-3-[(2,3,6-trimethylphenoxy)methyl]urea
CID 108880427
1-[2-(4-chlorophenyl)ethyl]-3-[(2-ethoxyphenoxy)methyl]urea
CID 108877443
1-[(4-ethoxyphenoxy)methyl]-3-[2-(4-methylphenyl)ethyl]urea
CID 108890945
1-[2-(4-fluorophenyl)ethyl]-3-[(4-methylphenoxy)methyl]urea
CID 108893063
1-[(2,4-dichlorophenoxy)methyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 108880887
1-[2-(4-chlorophenyl)ethyl]-3-(2-methoxyethyl)urea
CID 47133600
1-[2-(4-chlorophenyl)ethyl]-3-(5-hydroxypentyl)urea
CID 108891921
1-[(4-chlorophenoxy)methyl]-3-(pyridin-4-ylmethyl)urea
CID 108885189
N-[2-(4-chlorophenyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 2632440
1-[2-(4-chlorophenyl)ethyl]-3-[2-(3,4-diethoxyphenyl)ethyl]urea
CID 108891954
1-(4-chlorophenyl)-3-[2-(4-chlorophenyl)ethyl]urea
CID 2805176
1-[2-(4-chlorophenyl)ethyl]-3-[(1S)-1-(4-ethoxyphenyl)ethyl]urea
CID 41105338

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenoxy)methyl]-3-[2-(4-chlorophenyl)ethyl]urea?
The IUPAC name of 1-[(4-chlorophenoxy)methyl]-3-[2-(4-chlorophenyl)ethyl]urea (CID 108885405) is 1-[(4-chlorophenoxy)methyl]-3-[2-(4-chlorophenyl)ethyl]urea.
What is the SMILES notation for 1-[(4-chlorophenoxy)methyl]-3-[2-(4-chlorophenyl)ethyl]urea?
The canonical SMILES for 1-[(4-chlorophenoxy)methyl]-3-[2-(4-chlorophenyl)ethyl]urea is O=C(NCCc1ccc(Cl)cc1)NCOc1ccc(Cl)cc1.
What is the InChIKey of 1-[(4-chlorophenoxy)methyl]-3-[2-(4-chlorophenyl)ethyl]urea?
The InChIKey is KFWDFZLQFRNOJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O2/c17-13-3-1-12(2-4-13)9-10-19-16(21)20-11-22-15-7-5-14(18)6-8-15/h1-8H,9-11H2,(H2,19,20,21).
What are the key properties of 1-[(4-chlorophenoxy)methyl]-3-[2-(4-chlorophenyl)ethyl]urea?
1-[(4-chlorophenoxy)methyl]-3-[2-(4-chlorophenyl)ethyl]urea has a molecular weight of 339.22 g/mol, XLogP of 3.87, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenoxy)methyl]-3-[2-(4-chlorophenyl)ethyl]urea is sourced from PubChem (CID 108885405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).