(2,6-dichlorophenyl)methoxyurea

C8H8Cl2N2O2 — CID 3411608

IUPAC(2,6-dichlorophenyl)methoxyurea
SMILESNC(=O)NOCc1c(Cl)cccc1Cl
InChIInChI=1S/C8H8Cl2N2O2/c9-6-2-1-3-7(10)5(6)4-14-12-8(11)13/h1-3H,4H2,(H3,11,12,13)
InChIKeyXWNNHEXUENWLNK-UHFFFAOYSA-N
MW235.07 g/mol
LogP2.09
Rot. Bonds3

About (2,6-dichlorophenyl)methoxyurea

(2,6-dichlorophenyl)methoxyurea (PubChem CID 3411608) has the molecular formula C8H8Cl2N2O2 and a molecular weight of 235.07 g/mol. Its IUPAC name is (2,6-dichlorophenyl)methoxyurea.

Molecular Properties

Compound Name(2,6-dichlorophenyl)methoxyurea
PubChem CID3411608
Molecular FormulaC8H8Cl2N2O2
Molecular Weight235.07 g/mol
Exact Mass234.00
IUPAC Name(2,6-dichlorophenyl)methoxyurea
SMILESNC(=O)NOCc1c(Cl)cccc1Cl
InChIInChI=1S/C8H8Cl2N2O2/c9-6-2-1-3-7(10)5(6)4-14-12-8(11)13/h1-3H,4H2,(H3,11,12,13)
InChIKeyXWNNHEXUENWLNK-UHFFFAOYSA-N
XLogP2.09
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.07
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2,6-dichlorophenyl)methoxyurea?
The IUPAC name of (2,6-dichlorophenyl)methoxyurea (CID 3411608) is (2,6-dichlorophenyl)methoxyurea.
What is the SMILES notation for (2,6-dichlorophenyl)methoxyurea?
The canonical SMILES for (2,6-dichlorophenyl)methoxyurea is NC(=O)NOCc1c(Cl)cccc1Cl.
What is the InChIKey of (2,6-dichlorophenyl)methoxyurea?
The InChIKey is XWNNHEXUENWLNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl2N2O2/c9-6-2-1-3-7(10)5(6)4-14-12-8(11)13/h1-3H,4H2,(H3,11,12,13).
What are the key properties of (2,6-dichlorophenyl)methoxyurea?
(2,6-dichlorophenyl)methoxyurea has a molecular weight of 235.07 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dichlorophenyl)methoxyurea is sourced from PubChem (CID 3411608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).