3-(2,3-dichlorophenyl)-1,1-diethylurea

C11H14Cl2N2O — CID 4098247

IUPAC3-(2,3-dichlorophenyl)-1,1-diethylurea
SMILESCCN(CC)C(=O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C11H14Cl2N2O/c1-3-15(4-2)11(16)14-9-7-5-6-8(12)10(9)13/h5-7H,3-4H2,1-2H3,(H,14,16)
InChIKeyXPEWHXWVMTZNKB-UHFFFAOYSA-N
MW261.15 g/mol
LogP3.87
Rot. Bonds3

About 3-(2,3-dichlorophenyl)-1,1-diethylurea

3-(2,3-dichlorophenyl)-1,1-diethylurea (PubChem CID 4098247) has the molecular formula C11H14Cl2N2O and a molecular weight of 261.15 g/mol. Its IUPAC name is 3-(2,3-dichlorophenyl)-1,1-diethylurea.

Molecular Properties

Compound Name3-(2,3-dichlorophenyl)-1,1-diethylurea
PubChem CID4098247
Molecular FormulaC11H14Cl2N2O
Molecular Weight261.15 g/mol
Exact Mass260.05
IUPAC Name3-(2,3-dichlorophenyl)-1,1-diethylurea
SMILESCCN(CC)C(=O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C11H14Cl2N2O/c1-3-15(4-2)11(16)14-9-7-5-6-8(12)10(9)13/h5-7H,3-4H2,1-2H3,(H,14,16)
InChIKeyXPEWHXWVMTZNKB-UHFFFAOYSA-N
XLogP3.87
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.15
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2,3-dichlorophenyl)-1-ethyl-1-phenylurea
CID 108991555
N-(2,3-dichlorophenyl)-N',N'-diethyl-2,2-dimethylpropanediamide
CID 108965784
3-[3-chloro-2-(2-ethoxyethoxy)phenyl]-1,1-diethylurea
CID 56821996
3-(3-chloro-2-methylphenyl)-1-ethyl-1-(2-hydroxyethyl)urea
CID 110890389
N-(2,3-dichlorophenyl)-2-[ethyl(2-methylprop-2-enyl)amino]acetamide
CID 86976724
3-(2,3-dichlorophenyl)-1-(2-hydroxyethyl)-1-prop-2-enylurea
CID 111423861
1-(2,3-dichlorophenyl)-3-(2-ethylphenyl)urea
CID 108991483
2-[[butyl(ethyl)carbamoyl]amino]-6-chlorobenzoic acid
CID 63723127
2-[tert-butyl-[(2,3-dichlorophenyl)carbamoyl]amino]acetic acid
CID 79256587
N-(2,3-dichlorophenyl)-2-(N-ethylanilino)acetamide
CID 54808631
N-(2,3-dichlorophenyl)-N'-ethyl-N'-phenyloxamide
CID 108500732
1-(2,3-dichlorophenyl)-3-propylurea
CID 4654956

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dichlorophenyl)-1,1-diethylurea?
The IUPAC name of 3-(2,3-dichlorophenyl)-1,1-diethylurea (CID 4098247) is 3-(2,3-dichlorophenyl)-1,1-diethylurea.
What is the SMILES notation for 3-(2,3-dichlorophenyl)-1,1-diethylurea?
The canonical SMILES for 3-(2,3-dichlorophenyl)-1,1-diethylurea is CCN(CC)C(=O)Nc1cccc(Cl)c1Cl.
What is the InChIKey of 3-(2,3-dichlorophenyl)-1,1-diethylurea?
The InChIKey is XPEWHXWVMTZNKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2N2O/c1-3-15(4-2)11(16)14-9-7-5-6-8(12)10(9)13/h5-7H,3-4H2,1-2H3,(H,14,16).
What are the key properties of 3-(2,3-dichlorophenyl)-1,1-diethylurea?
3-(2,3-dichlorophenyl)-1,1-diethylurea has a molecular weight of 261.15 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dichlorophenyl)-1,1-diethylurea is sourced from PubChem (CID 4098247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).