1-[2-(3,4-dichlorophenyl)ethyl]-1,3-dimethylurea

C11H14Cl2N2O — CID 115169525

IUPAC1-[2-(3,4-dichlorophenyl)ethyl]-1,3-dimethylurea
SMILESCNC(=O)N(C)CCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H14Cl2N2O/c1-14-11(16)15(2)6-5-8-3-4-9(12)10(13)7-8/h3-4,7H,5-6H2,1-2H3,(H,14,16)
InChIKeyOLYJAGPXEGUIBJ-UHFFFAOYSA-N
MW261.15 g/mol
LogP2.81
Rot. Bonds3

About 1-[2-(3,4-dichlorophenyl)ethyl]-1,3-dimethylurea

1-[2-(3,4-dichlorophenyl)ethyl]-1,3-dimethylurea (PubChem CID 115169525) has the molecular formula C11H14Cl2N2O and a molecular weight of 261.15 g/mol. Its IUPAC name is 1-[2-(3,4-dichlorophenyl)ethyl]-1,3-dimethylurea.

Molecular Properties

Compound Name1-[2-(3,4-dichlorophenyl)ethyl]-1,3-dimethylurea
PubChem CID115169525
Molecular FormulaC11H14Cl2N2O
Molecular Weight261.15 g/mol
Exact Mass260.05
IUPAC Name1-[2-(3,4-dichlorophenyl)ethyl]-1,3-dimethylurea
SMILESCNC(=O)N(C)CCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H14Cl2N2O/c1-14-11(16)15(2)6-5-8-3-4-9(12)10(13)7-8/h3-4,7H,5-6H2,1-2H3,(H,14,16)
InChIKeyOLYJAGPXEGUIBJ-UHFFFAOYSA-N
XLogP2.81
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 ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(3,4-dichlorophenyl)ethyl]-2,2,2-trifluoro-N-methylacetamide
CID 163724477
1,3-dimethyl-1-[2-(4-propylphenyl)ethyl]urea
CID 115169449
N-[2-(3-chloro-4-fluorophenyl)ethyl]-N-methylcarbamoyl chloride
CID 115195073
2-[4-chloro-3-(hydroxymethyl)phenyl]ethyl-methylcarbamic acid
CID 140558957
1-[2-(4-methoxy-3,5-dimethylphenyl)ethyl]-1,3-dimethylurea
CID 115169536
2-[[2-[(3,4-dichlorophenyl)methyl-methylamino]-2-oxoethyl]amino]-N-methylacetamide
CID 8772570
1-[(3-chloro-4-ethoxyphenyl)methyl]-1,3-dimethylurea
CID 115169236
2-chloro-N-[2-(3-chloro-4-fluorophenyl)ethyl]-N-methylacetamide
CID 115162206
1,5-bis(3,4-dichlorophenyl)pentan-3-one
CID 70057291
2-(3,4-dichlorophenyl)-N,N-dimethylacetamide
CID 14740023
3-(3,5-dichlorophenyl)-1-methyl-1-(2-phenylethyl)urea
CID 3596842
N-[2-(3-chloro-4-methoxyphenyl)ethyl]-N-methylcarbamoyl bromide
CID 115194050

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dichlorophenyl)ethyl]-1,3-dimethylurea?
The IUPAC name of 1-[2-(3,4-dichlorophenyl)ethyl]-1,3-dimethylurea (CID 115169525) is 1-[2-(3,4-dichlorophenyl)ethyl]-1,3-dimethylurea.
What is the SMILES notation for 1-[2-(3,4-dichlorophenyl)ethyl]-1,3-dimethylurea?
The canonical SMILES for 1-[2-(3,4-dichlorophenyl)ethyl]-1,3-dimethylurea is CNC(=O)N(C)CCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-[2-(3,4-dichlorophenyl)ethyl]-1,3-dimethylurea?
The InChIKey is OLYJAGPXEGUIBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2N2O/c1-14-11(16)15(2)6-5-8-3-4-9(12)10(13)7-8/h3-4,7H,5-6H2,1-2H3,(H,14,16).
What are the key properties of 1-[2-(3,4-dichlorophenyl)ethyl]-1,3-dimethylurea?
1-[2-(3,4-dichlorophenyl)ethyl]-1,3-dimethylurea has a molecular weight of 261.15 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dichlorophenyl)ethyl]-1,3-dimethylurea is sourced from PubChem (CID 115169525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).