1-(2,4-dichlorophenyl)-3-(dimethylamino)urea

C9H11Cl2N3O — CID 3548552

IUPAC1-(2,4-dichlorophenyl)-3-(dimethylamino)urea
SMILESCN(C)NC(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C9H11Cl2N3O/c1-14(2)13-9(15)12-8-4-3-6(10)5-7(8)11/h3-5H,1-2H3,(H2,12,13,15)
InChIKeyOOAUOCGNRBPOOI-UHFFFAOYSA-N
MW248.11 g/mol
LogP2.59
Rot. Bonds2

About 1-(2,4-dichlorophenyl)-3-(dimethylamino)urea

1-(2,4-dichlorophenyl)-3-(dimethylamino)urea (PubChem CID 3548552) has the molecular formula C9H11Cl2N3O and a molecular weight of 248.11 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-3-(dimethylamino)urea.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-3-(dimethylamino)urea
PubChem CID3548552
Molecular FormulaC9H11Cl2N3O
Molecular Weight248.11 g/mol
Exact Mass247.03
IUPAC Name1-(2,4-dichlorophenyl)-3-(dimethylamino)urea
SMILESCN(C)NC(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C9H11Cl2N3O/c1-14(2)13-9(15)12-8-4-3-6(10)5-7(8)11/h3-5H,1-2H3,(H2,12,13,15)
InChIKeyOOAUOCGNRBPOOI-UHFFFAOYSA-N
XLogP2.59
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.11
LogP ≤ 52.59
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 1-(2,4-dichlorophenyl)-3-(dimethylamino)urea?
The IUPAC name of 1-(2,4-dichlorophenyl)-3-(dimethylamino)urea (CID 3548552) is 1-(2,4-dichlorophenyl)-3-(dimethylamino)urea.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-3-(dimethylamino)urea?
The canonical SMILES for 1-(2,4-dichlorophenyl)-3-(dimethylamino)urea is CN(C)NC(=O)Nc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenyl)-3-(dimethylamino)urea?
The InChIKey is OOAUOCGNRBPOOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Cl2N3O/c1-14(2)13-9(15)12-8-4-3-6(10)5-7(8)11/h3-5H,1-2H3,(H2,12,13,15).
What are the key properties of 1-(2,4-dichlorophenyl)-3-(dimethylamino)urea?
1-(2,4-dichlorophenyl)-3-(dimethylamino)urea has a molecular weight of 248.11 g/mol, XLogP of 2.59, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-3-(dimethylamino)urea is sourced from PubChem (CID 3548552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).