1-(2,6-dichlorophenyl)-3-methylurea

C8H8Cl2N2O — CID 3018146

IUPAC1-(2,6-dichlorophenyl)-3-methylurea
SMILESCNC(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C8H8Cl2N2O/c1-11-8(13)12-7-5(9)3-2-4-6(7)10/h2-4H,1H3,(H2,11,12,13)
InChIKeyGZGMPIOPYIEASI-UHFFFAOYSA-N
MW219.07 g/mol
LogP2.74
Rot. Bonds1

About 1-(2,6-dichlorophenyl)-3-methylurea

1-(2,6-dichlorophenyl)-3-methylurea (PubChem CID 3018146) has the molecular formula C8H8Cl2N2O and a molecular weight of 219.07 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)-3-methylurea.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)-3-methylurea
PubChem CID3018146
Molecular FormulaC8H8Cl2N2O
Molecular Weight219.07 g/mol
Exact Mass218.00
IUPAC Name1-(2,6-dichlorophenyl)-3-methylurea
SMILESCNC(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C8H8Cl2N2O/c1-11-8(13)12-7-5(9)3-2-4-6(7)10/h2-4H,1H3,(H2,11,12,13)
InChIKeyGZGMPIOPYIEASI-UHFFFAOYSA-N
XLogP2.74
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.07
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chloro-6-fluorophenyl)-3-methylurea
CID 21161279
[3-(methylcarbamoylamino)phenyl] N-(2,6-dichlorophenyl)carbamate
CID 134094489
1-(2-bromo-3-chlorophenyl)-3-methylurea
CID 103478758
1-(2,6-dichlorophenyl)-3-(2-methylphenyl)urea
CID 44721842
3-(2,6-dichlorophenyl)-1,1-di(propan-2-yl)urea
CID 4674154
2-[(2,6-dichlorophenyl)carbamoylamino]acetic acid
CID 28508172
N,N'-bis(2,6-dichlorophenyl)butanediamide
CID 1010966
1-(2,6-dichlorophenyl)-3-[(E)-3,3-dimethylbut-1-enyl]urea
CID 108911530
1-(2,6-dichlorophenyl)-3-[4-(dimethylamino)phenyl]urea
CID 108894872
1-(2-bromophenyl)-3-(2,6-dichlorophenyl)urea
CID 108868832
N-(2,6-dichlorophenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 580436
2-bromo-N-(2,6-dichlorophenyl)propanamide
CID 53414281

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)-3-methylurea?
The IUPAC name of 1-(2,6-dichlorophenyl)-3-methylurea (CID 3018146) is 1-(2,6-dichlorophenyl)-3-methylurea.
What is the SMILES notation for 1-(2,6-dichlorophenyl)-3-methylurea?
The canonical SMILES for 1-(2,6-dichlorophenyl)-3-methylurea is CNC(=O)Nc1c(Cl)cccc1Cl.
What is the InChIKey of 1-(2,6-dichlorophenyl)-3-methylurea?
The InChIKey is GZGMPIOPYIEASI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl2N2O/c1-11-8(13)12-7-5(9)3-2-4-6(7)10/h2-4H,1H3,(H2,11,12,13).
What are the key properties of 1-(2,6-dichlorophenyl)-3-methylurea?
1-(2,6-dichlorophenyl)-3-methylurea has a molecular weight of 219.07 g/mol, XLogP of 2.74, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenyl)-3-methylurea is sourced from PubChem (CID 3018146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).