3-(2,4-dichlorophenyl)-1-methoxy-1-methylurea

C9H10Cl2N2O2 — CID 118985035

IUPAC3-(2,4-dichlorophenyl)-1-methoxy-1-methylurea
SMILESCON(C)C(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C9H10Cl2N2O2/c1-13(15-2)9(14)12-8-4-3-6(10)5-7(8)11/h3-5H,1-2H3,(H,12,14)
InChIKeyHMVDRCXCHOKCFD-UHFFFAOYSA-N
MW249.10 g/mol
LogP3.02
Rot. Bonds2

About 3-(2,4-dichlorophenyl)-1-methoxy-1-methylurea

3-(2,4-dichlorophenyl)-1-methoxy-1-methylurea (PubChem CID 118985035) has the molecular formula C9H10Cl2N2O2 and a molecular weight of 249.10 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-1-methoxy-1-methylurea.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-1-methoxy-1-methylurea
PubChem CID118985035
Molecular FormulaC9H10Cl2N2O2
Molecular Weight249.10 g/mol
Exact Mass248.01
IUPAC Name3-(2,4-dichlorophenyl)-1-methoxy-1-methylurea
SMILESCON(C)C(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C9H10Cl2N2O2/c1-13(15-2)9(14)12-8-4-3-6(10)5-7(8)11/h3-5H,1-2H3,(H,12,14)
InChIKeyHMVDRCXCHOKCFD-UHFFFAOYSA-N
XLogP3.02
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.10
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(2,4-dichlorophenyl)-1-methoxy-1-methylurea 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

3-(4,5-dichloro-2-hydroxyphenyl)-1-methoxy-1-methylurea
CID 71332843
1-cyano-3-(2,4-dichlorophenyl)-1-methylurea
CID 134097598
N-(2,4-dichlorophenyl)-2-methoxyacetamide
CID 885676
3-(2,4-dichlorophenyl)-1,1-dipropylurea
CID 3499106
1-cyclohexyl-3-(2,4-dichlorophenyl)-1-methylurea
CID 4200063
methyl 4-(2,4-dichloroanilino)-4-oxobutanoate
CID 823383
3-(2,4-dichlorophenyl)-1-[(2,4-dichlorophenyl)carbamothioylamino]-1-methylthiourea
CID 2370185
N-(2,4-dichlorophenyl)propanamide
CID 923083
3-(2,4-dichlorophenyl)-1-ethyl-1-phenylurea
CID 108991553
1-(2,4-dichlorophenyl)-3-hydroxyurea
CID 4295489
3-(2,4-dichlorophenyl)-1-(furan-2-ylmethyl)-1-methylurea
CID 5015245
3-(4-chloro-2-methylphenyl)-1,1-dimethylurea
CID 551912

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-1-methoxy-1-methylurea?
The IUPAC name of 3-(2,4-dichlorophenyl)-1-methoxy-1-methylurea (CID 118985035) is 3-(2,4-dichlorophenyl)-1-methoxy-1-methylurea.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-1-methoxy-1-methylurea?
The canonical SMILES for 3-(2,4-dichlorophenyl)-1-methoxy-1-methylurea is CON(C)C(=O)Nc1ccc(Cl)cc1Cl.
What is the InChIKey of 3-(2,4-dichlorophenyl)-1-methoxy-1-methylurea?
The InChIKey is HMVDRCXCHOKCFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2N2O2/c1-13(15-2)9(14)12-8-4-3-6(10)5-7(8)11/h3-5H,1-2H3,(H,12,14).
What are the key properties of 3-(2,4-dichlorophenyl)-1-methoxy-1-methylurea?
3-(2,4-dichlorophenyl)-1-methoxy-1-methylurea has a molecular weight of 249.10 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)-1-methoxy-1-methylurea is sourced from PubChem (CID 118985035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).