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

C15H13Cl3N2O2 — CID 108880889

IUPAC1-[(4-chlorophenyl)methyl]-3-[(2,4-dichlorophenoxy)methyl]urea
SMILESO=C(NCOc1ccc(Cl)cc1Cl)NCc1ccc(Cl)cc1
InChIInChI=1S/C15H13Cl3N2O2/c16-11-3-1-10(2-4-11)8-19-15(21)20-9-22-14-6-5-12(17)7-13(14)18/h1-7H,8-9H2,(H2,19,20,21)
InChIKeyRMXDZXWYRJYXDK-UHFFFAOYSA-N
MW359.64 g/mol
LogP4.48
Rot. Bonds5

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

1-[(4-chlorophenyl)methyl]-3-[(2,4-dichlorophenoxy)methyl]urea (PubChem CID 108880889) has the molecular formula C15H13Cl3N2O2 and a molecular weight of 359.64 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-3-[(2,4-dichlorophenoxy)methyl]urea.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-3-[(2,4-dichlorophenoxy)methyl]urea
PubChem CID108880889
Molecular FormulaC15H13Cl3N2O2
Molecular Weight359.64 g/mol
Exact Mass358.00
IUPAC Name1-[(4-chlorophenyl)methyl]-3-[(2,4-dichlorophenoxy)methyl]urea
SMILESO=C(NCOc1ccc(Cl)cc1Cl)NCc1ccc(Cl)cc1
InChIInChI=1S/C15H13Cl3N2O2/c16-11-3-1-10(2-4-11)8-19-15(21)20-9-22-14-6-5-12(17)7-13(14)18/h1-7H,8-9H2,(H2,19,20,21)
InChIKeyRMXDZXWYRJYXDK-UHFFFAOYSA-N
XLogP4.48
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.64
LogP ≤ 54.48
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-chlorophenyl)methyl]-3-[(2,4-dichlorophenoxy)methyl]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-[(3-bromophenyl)methyl]-3-[(2,4-dichlorophenoxy)methyl]urea
CID 108881160
1-[(2,4-dichlorophenoxy)methyl]-3-ethylurea
CID 108880980
1-[(2,4-dichlorophenoxy)methyl]-3-[(2-methylphenyl)methyl]urea
CID 108881154
1-[(2,4-dichlorophenoxy)methyl]-3-(2-hydroxypropyl)urea
CID 108880979
1-[(2,4-dichlorophenoxy)methyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 108880887
1-tert-butyl-3-[(2,4-dichlorophenoxy)methyl]urea
CID 108880884
ethyl 2-[(2,4-dichlorophenoxy)methylcarbamoylamino]acetate
CID 108881148
1-[(2,4-dichlorophenoxy)methyl]-3-(3,4-dichlorophenyl)urea
CID 108880841
1-[(2,4-dichlorophenoxy)methyl]-3-(2,6-dimethylphenyl)urea
CID 108881118
1-[(2,4-dichlorophenoxy)methyl]-3-(2-hydroxyphenyl)urea
CID 108880931
1-[(2,4-dichlorophenoxy)methyl]-3-(3-hydroxyphenyl)urea
CID 108880828
N-[(4-chlorophenyl)methyl]-2-(2,4-dichlorophenyl)acetamide
CID 1226021

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-3-[(2,4-dichlorophenoxy)methyl]urea?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-3-[(2,4-dichlorophenoxy)methyl]urea (CID 108880889) is 1-[(4-chlorophenyl)methyl]-3-[(2,4-dichlorophenoxy)methyl]urea.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-3-[(2,4-dichlorophenoxy)methyl]urea?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-3-[(2,4-dichlorophenoxy)methyl]urea is O=C(NCOc1ccc(Cl)cc1Cl)NCc1ccc(Cl)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-3-[(2,4-dichlorophenoxy)methyl]urea?
The InChIKey is RMXDZXWYRJYXDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl3N2O2/c16-11-3-1-10(2-4-11)8-19-15(21)20-9-22-14-6-5-12(17)7-13(14)18/h1-7H,8-9H2,(H2,19,20,21).
What are the key properties of 1-[(4-chlorophenyl)methyl]-3-[(2,4-dichlorophenoxy)methyl]urea?
1-[(4-chlorophenyl)methyl]-3-[(2,4-dichlorophenoxy)methyl]urea has a molecular weight of 359.64 g/mol, XLogP of 4.48, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-3-[(2,4-dichlorophenoxy)methyl]urea is sourced from PubChem (CID 108880889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).