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

C13H18Cl2N2O3 — CID 3301738

IUPAC1-(2,4-dichlorophenyl)-3-(2,2-diethoxyethyl)urea
SMILESCCOC(CNC(=O)Nc1ccc(Cl)cc1Cl)OCC
InChIInChI=1S/C13H18Cl2N2O3/c1-3-19-12(20-4-2)8-16-13(18)17-11-6-5-9(14)7-10(11)15/h5-7,12H,3-4,8H2,1-2H3,(H2,16,17,18)
InChIKeyQSEHQBAVGRACMP-UHFFFAOYSA-N
MW321.20 g/mol
LogP3.51
Rot. Bonds7

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

1-(2,4-dichlorophenyl)-3-(2,2-diethoxyethyl)urea (PubChem CID 3301738) has the molecular formula C13H18Cl2N2O3 and a molecular weight of 321.20 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-3-(2,2-diethoxyethyl)urea.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-3-(2,2-diethoxyethyl)urea
PubChem CID3301738
Molecular FormulaC13H18Cl2N2O3
Molecular Weight321.20 g/mol
Exact Mass320.07
IUPAC Name1-(2,4-dichlorophenyl)-3-(2,2-diethoxyethyl)urea
SMILESCCOC(CNC(=O)Nc1ccc(Cl)cc1Cl)OCC
InChIInChI=1S/C13H18Cl2N2O3/c1-3-19-12(20-4-2)8-16-13(18)17-11-6-5-9(14)7-10(11)15/h5-7,12H,3-4,8H2,1-2H3,(H2,16,17,18)
InChIKeyQSEHQBAVGRACMP-UHFFFAOYSA-N
XLogP3.51
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.20
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(2,4-dichlorophenyl)-3-(2,2-diethoxyethyl)urea 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

2-[[(2,4-dichlorophenyl)carbamoylamino]methyl]butanoic acid
CID 65219369
2,4-dichloro-N-(2,2-diethoxyethyl)aniline
CID 81093226
1-(2,4-dichlorophenyl)-3-(2-ethoxyethyl)urea
CID 3314050
1-[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]-3-(2,4-dichlorophenyl)urea
CID 51944288
1-(2,4-dichlorophenyl)-3-[2-(4-fluorophenyl)-2-hydroxyethyl]urea
CID 75876358
2-[[(2,4-dichlorophenyl)carbamoylamino]methyl]-2-ethylbutanoic acid
CID 115430752
1-(2,2-diethoxyethyl)-3-(3,5-dihydroxyphenyl)urea
CID 108895659
N-(2,4-dichlorophenyl)propanamide
CID 923083
1-(2,5-dichlorophenyl)-3-(2-hydroxybutyl)urea
CID 113492767
1-(2,4-dichlorophenyl)-3-hydroxyurea
CID 4295489
(2S)-N-(2,4-dichlorophenyl)-2-methylpentanamide
CID 884870
1-(2,4-dichlorophenyl)-3-[(2R)-2-hydroxy-3-piperidin-1-ylpropyl]urea
CID 51944280

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-3-(2,2-diethoxyethyl)urea?
The IUPAC name of 1-(2,4-dichlorophenyl)-3-(2,2-diethoxyethyl)urea (CID 3301738) is 1-(2,4-dichlorophenyl)-3-(2,2-diethoxyethyl)urea.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-3-(2,2-diethoxyethyl)urea?
The canonical SMILES for 1-(2,4-dichlorophenyl)-3-(2,2-diethoxyethyl)urea is CCOC(CNC(=O)Nc1ccc(Cl)cc1Cl)OCC.
What is the InChIKey of 1-(2,4-dichlorophenyl)-3-(2,2-diethoxyethyl)urea?
The InChIKey is QSEHQBAVGRACMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2O3/c1-3-19-12(20-4-2)8-16-13(18)17-11-6-5-9(14)7-10(11)15/h5-7,12H,3-4,8H2,1-2H3,(H2,16,17,18).
What are the key properties of 1-(2,4-dichlorophenyl)-3-(2,2-diethoxyethyl)urea?
1-(2,4-dichlorophenyl)-3-(2,2-diethoxyethyl)urea has a molecular weight of 321.20 g/mol, XLogP of 3.51, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-3-(2,2-diethoxyethyl)urea is sourced from PubChem (CID 3301738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).