1-(2,6-difluoro-3,5-dimethoxyphenyl)-3-methylurea

C10H12F2N2O3 — CID 175200218

IUPAC1-(2,6-difluoro-3,5-dimethoxyphenyl)-3-methylurea
SMILESCNC(=O)Nc1c(F)c(OC)cc(OC)c1F
InChIInChI=1S/C10H12F2N2O3/c1-13-10(15)14-9-7(11)5(16-2)4-6(17-3)8(9)12/h4H,1-3H3,(H2,13,14,15)
InChIKeyTURAXUAVIRYUPV-UHFFFAOYSA-N
MW246.21 g/mol
LogP1.73
Rot. Bonds3

About 1-(2,6-difluoro-3,5-dimethoxyphenyl)-3-methylurea

1-(2,6-difluoro-3,5-dimethoxyphenyl)-3-methylurea (PubChem CID 175200218) has the molecular formula C10H12F2N2O3 and a molecular weight of 246.21 g/mol. Its IUPAC name is 1-(2,6-difluoro-3,5-dimethoxyphenyl)-3-methylurea.

Molecular Properties

Compound Name1-(2,6-difluoro-3,5-dimethoxyphenyl)-3-methylurea
PubChem CID175200218
Molecular FormulaC10H12F2N2O3
Molecular Weight246.21 g/mol
Exact Mass246.08
IUPAC Name1-(2,6-difluoro-3,5-dimethoxyphenyl)-3-methylurea
SMILESCNC(=O)Nc1c(F)c(OC)cc(OC)c1F
InChIInChI=1S/C10H12F2N2O3/c1-13-10(15)14-9-7(11)5(16-2)4-6(17-3)8(9)12/h4H,1-3H3,(H2,13,14,15)
InChIKeyTURAXUAVIRYUPV-UHFFFAOYSA-N
XLogP1.73
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.21
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-difluoro-3,5-dimethoxyphenyl)acetamide
CID 150969889
1-(5-fluoro-4-methoxy-2-methylphenyl)-3-methylurea
CID 126789448
1-methyl-3-(3,4,5-trimethoxyphenyl)urea
CID 17171369
1-(4-methoxy-2,5-dimethylphenyl)-3-methylurea
CID 115168877
1-[2-hydroxy-5-methoxy-4-(methylamino)phenyl]-3-methylurea
CID 18006545
methyl 2-(2,6-difluoro-3,5-dimethoxyphenyl)-2-hydroxyacetate
CID 117409610
1-(5-chloro-4-methoxy-2-methylphenyl)-3-methylurea
CID 115168887
N-(3,4-difluoro-5-methoxy-2-methylphenyl)acetamide;ethane
CID 178095697
1-(2-chloro-4,6-difluorophenyl)-3-methylurea
CID 21161536
1-(2,6-difluorophenyl)-3-(2,6-dimethoxyphenyl)urea
CID 108867921
1-(6-cyano-3,4-difluoro-2-methylphenyl)-3-methylurea
CID 134267306
3-(3,4-difluoro-5-methoxyanilino)-3-oxopropanoic acid
CID 169256810

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluoro-3,5-dimethoxyphenyl)-3-methylurea?
The IUPAC name of 1-(2,6-difluoro-3,5-dimethoxyphenyl)-3-methylurea (CID 175200218) is 1-(2,6-difluoro-3,5-dimethoxyphenyl)-3-methylurea.
What is the SMILES notation for 1-(2,6-difluoro-3,5-dimethoxyphenyl)-3-methylurea?
The canonical SMILES for 1-(2,6-difluoro-3,5-dimethoxyphenyl)-3-methylurea is CNC(=O)Nc1c(F)c(OC)cc(OC)c1F.
What is the InChIKey of 1-(2,6-difluoro-3,5-dimethoxyphenyl)-3-methylurea?
The InChIKey is TURAXUAVIRYUPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N2O3/c1-13-10(15)14-9-7(11)5(16-2)4-6(17-3)8(9)12/h4H,1-3H3,(H2,13,14,15).
What are the key properties of 1-(2,6-difluoro-3,5-dimethoxyphenyl)-3-methylurea?
1-(2,6-difluoro-3,5-dimethoxyphenyl)-3-methylurea has a molecular weight of 246.21 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluoro-3,5-dimethoxyphenyl)-3-methylurea is sourced from PubChem (CID 175200218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).