1-[(2,4-dichlorophenoxy)methyl]-3-(2,6-dimethylphenyl)urea

C16H16Cl2N2O2 — CID 108881118

IUPAC1-[(2,4-dichlorophenoxy)methyl]-3-(2,6-dimethylphenyl)urea
SMILESCc1cccc(C)c1NC(=O)NCOc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H16Cl2N2O2/c1-10-4-3-5-11(2)15(10)20-16(21)19-9-22-14-7-6-12(17)8-13(14)18/h3-8H,9H2,1-2H3,(H2,19,20,21)
InChIKeyKAXLAOKSTLUJOH-UHFFFAOYSA-N
MW339.22 g/mol
LogP4.77
Rot. Bonds4

About 1-[(2,4-dichlorophenoxy)methyl]-3-(2,6-dimethylphenyl)urea

1-[(2,4-dichlorophenoxy)methyl]-3-(2,6-dimethylphenyl)urea (PubChem CID 108881118) has the molecular formula C16H16Cl2N2O2 and a molecular weight of 339.22 g/mol. Its IUPAC name is 1-[(2,4-dichlorophenoxy)methyl]-3-(2,6-dimethylphenyl)urea.

Molecular Properties

Compound Name1-[(2,4-dichlorophenoxy)methyl]-3-(2,6-dimethylphenyl)urea
PubChem CID108881118
Molecular FormulaC16H16Cl2N2O2
Molecular Weight339.22 g/mol
Exact Mass338.06
IUPAC Name1-[(2,4-dichlorophenoxy)methyl]-3-(2,6-dimethylphenyl)urea
SMILESCc1cccc(C)c1NC(=O)NCOc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H16Cl2N2O2/c1-10-4-3-5-11(2)15(10)20-16(21)19-9-22-14-7-6-12(17)8-13(14)18/h3-8H,9H2,1-2H3,(H2,19,20,21)
InChIKeyKAXLAOKSTLUJOH-UHFFFAOYSA-N
XLogP4.77
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.22
LogP ≤ 54.77
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-[(2,4-dichlorophenoxy)methyl]-3-[(2-methylphenyl)methyl]urea
CID 108881154
1-[(2,4-dichlorophenoxy)methyl]-3-(3-hydroxyphenyl)urea
CID 108880828
1-[(2,4-dichlorophenoxy)methyl]-3-ethylurea
CID 108880980
1-[(2,4-dichlorophenoxy)methyl]-3-(2-hydroxyphenyl)urea
CID 108880931
1-[(2,4-dichlorophenoxy)methyl]-3-(2-ethoxyphenyl)urea
CID 108881082
1-[(2,4-dichlorophenoxy)methyl]-3-(3-methoxyphenyl)urea
CID 108880965
1-[(2,4-dichlorophenoxy)methyl]-3-(3,4-dichlorophenyl)urea
CID 108880841
1-tert-butyl-3-[(2,4-dichlorophenoxy)methyl]urea
CID 108880884
3-[(2,4-dichlorophenoxy)methylcarbamoylamino]benzoic acid
CID 108880826
1-(2-chloro-3-pyridinyl)-3-[(2,4-dichlorophenoxy)methyl]urea
CID 108880972
ethyl 2-[(2,4-dichlorophenoxy)methylcarbamoylamino]acetate
CID 108881148
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-(2,6-dimethylphenyl)urea?
The IUPAC name of 1-[(2,4-dichlorophenoxy)methyl]-3-(2,6-dimethylphenyl)urea (CID 108881118) is 1-[(2,4-dichlorophenoxy)methyl]-3-(2,6-dimethylphenyl)urea.
What is the SMILES notation for 1-[(2,4-dichlorophenoxy)methyl]-3-(2,6-dimethylphenyl)urea?
The canonical SMILES for 1-[(2,4-dichlorophenoxy)methyl]-3-(2,6-dimethylphenyl)urea is Cc1cccc(C)c1NC(=O)NCOc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-[(2,4-dichlorophenoxy)methyl]-3-(2,6-dimethylphenyl)urea?
The InChIKey is KAXLAOKSTLUJOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O2/c1-10-4-3-5-11(2)15(10)20-16(21)19-9-22-14-7-6-12(17)8-13(14)18/h3-8H,9H2,1-2H3,(H2,19,20,21).
What are the key properties of 1-[(2,4-dichlorophenoxy)methyl]-3-(2,6-dimethylphenyl)urea?
1-[(2,4-dichlorophenoxy)methyl]-3-(2,6-dimethylphenyl)urea has a molecular weight of 339.22 g/mol, XLogP of 4.77, 4 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-(2,6-dimethylphenyl)urea is sourced from PubChem (CID 108881118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).