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

C16H16Cl2N2O2 — CID 108881154

IUPAC1-[(2,4-dichlorophenoxy)methyl]-3-[(2-methylphenyl)methyl]urea
SMILESCc1ccccc1CNC(=O)NCOc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H16Cl2N2O2/c1-11-4-2-3-5-12(11)9-19-16(21)20-10-22-15-7-6-13(17)8-14(15)18/h2-8H,9-10H2,1H3,(H2,19,20,21)
InChIKeyMDRNQBUAQODTQH-UHFFFAOYSA-N
MW339.22 g/mol
LogP4.14
Rot. Bonds5

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

1-[(2,4-dichlorophenoxy)methyl]-3-[(2-methylphenyl)methyl]urea (PubChem CID 108881154) has the molecular formula C16H16Cl2N2O2 and a molecular weight of 339.22 g/mol. Its IUPAC name is 1-[(2,4-dichlorophenoxy)methyl]-3-[(2-methylphenyl)methyl]urea.

Molecular Properties

Compound Name1-[(2,4-dichlorophenoxy)methyl]-3-[(2-methylphenyl)methyl]urea
PubChem CID108881154
Molecular FormulaC16H16Cl2N2O2
Molecular Weight339.22 g/mol
Exact Mass338.06
IUPAC Name1-[(2,4-dichlorophenoxy)methyl]-3-[(2-methylphenyl)methyl]urea
SMILESCc1ccccc1CNC(=O)NCOc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H16Cl2N2O2/c1-11-4-2-3-5-12(11)9-19-16(21)20-10-22-15-7-6-13(17)8-14(15)18/h2-8H,9-10H2,1H3,(H2,19,20,21)
InChIKeyMDRNQBUAQODTQH-UHFFFAOYSA-N
XLogP4.14
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.22
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(4-chlorophenoxy)methyl]-3-[(2-methylphenyl)methyl]urea
CID 108885386
1-[(2,4-dichlorophenoxy)methyl]-3-(2,6-dimethylphenyl)urea
CID 108881118
1-[(2-ethylphenoxy)methyl]-3-[(2-methylphenyl)methyl]urea
CID 108893488
1-[(4-chlorophenyl)methyl]-3-[(2,4-dichlorophenoxy)methyl]urea
CID 108880889
1-[(2,4-dichlorophenoxy)methyl]-3-ethylurea
CID 108880980
1-[(2-ethoxyphenoxy)methyl]-3-[(2-methylphenyl)methyl]urea
CID 108877424
1-[(2,4-dichlorophenoxy)methyl]-3-(2-hydroxyphenyl)urea
CID 108880931
1-[(3-bromophenyl)methyl]-3-[(2,4-dichlorophenoxy)methyl]urea
CID 108881160
ethyl 2-[(2,4-dichlorophenoxy)methylcarbamoylamino]acetate
CID 108881148
1-[(2,4-dichlorophenoxy)methyl]-3-(2-ethoxyphenyl)urea
CID 108881082
1-[(4-chlorophenyl)methyl]-3-[(2-methylphenyl)methyl]urea
CID 108897128
1-[(2,4-dichlorophenoxy)methyl]-3-(2-hydroxypropyl)urea
CID 108880979

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dichlorophenoxy)methyl]-3-[(2-methylphenyl)methyl]urea?
The IUPAC name of 1-[(2,4-dichlorophenoxy)methyl]-3-[(2-methylphenyl)methyl]urea (CID 108881154) is 1-[(2,4-dichlorophenoxy)methyl]-3-[(2-methylphenyl)methyl]urea.
What is the SMILES notation for 1-[(2,4-dichlorophenoxy)methyl]-3-[(2-methylphenyl)methyl]urea?
The canonical SMILES for 1-[(2,4-dichlorophenoxy)methyl]-3-[(2-methylphenyl)methyl]urea is Cc1ccccc1CNC(=O)NCOc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-[(2,4-dichlorophenoxy)methyl]-3-[(2-methylphenyl)methyl]urea?
The InChIKey is MDRNQBUAQODTQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O2/c1-11-4-2-3-5-12(11)9-19-16(21)20-10-22-15-7-6-13(17)8-14(15)18/h2-8H,9-10H2,1H3,(H2,19,20,21).
What are the key properties of 1-[(2,4-dichlorophenoxy)methyl]-3-[(2-methylphenyl)methyl]urea?
1-[(2,4-dichlorophenoxy)methyl]-3-[(2-methylphenyl)methyl]urea has a molecular weight of 339.22 g/mol, XLogP of 4.14, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dichlorophenoxy)methyl]-3-[(2-methylphenyl)methyl]urea is sourced from PubChem (CID 108881154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).