1-(2,6-difluorophenyl)-3-(2,6-dimethylphenyl)urea

C15H14F2N2O — CID 108991420

IUPAC1-(2,6-difluorophenyl)-3-(2,6-dimethylphenyl)urea
SMILESCc1cccc(C)c1NC(=O)Nc1c(F)cccc1F
InChIInChI=1S/C15H14F2N2O/c1-9-5-3-6-10(2)13(9)18-15(20)19-14-11(16)7-4-8-12(14)17/h3-8H,1-2H3,(H2,18,19,20)
InChIKeyQJWZDJNHQNANKU-UHFFFAOYSA-N
MW276.29 g/mol
LogP4.23
Rot. Bonds2

About 1-(2,6-difluorophenyl)-3-(2,6-dimethylphenyl)urea

1-(2,6-difluorophenyl)-3-(2,6-dimethylphenyl)urea (PubChem CID 108991420) has the molecular formula C15H14F2N2O and a molecular weight of 276.29 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-3-(2,6-dimethylphenyl)urea.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-3-(2,6-dimethylphenyl)urea
PubChem CID108991420
Molecular FormulaC15H14F2N2O
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name1-(2,6-difluorophenyl)-3-(2,6-dimethylphenyl)urea
SMILESCc1cccc(C)c1NC(=O)Nc1c(F)cccc1F
InChIInChI=1S/C15H14F2N2O/c1-9-5-3-6-10(2)13(9)18-15(20)19-14-11(16)7-4-8-12(14)17/h3-8H,1-2H3,(H2,18,19,20)
InChIKeyQJWZDJNHQNANKU-UHFFFAOYSA-N
XLogP4.23
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,6-dimethylphenyl)-3-(3-fluoro-2-methylphenyl)urea
CID 46860101
1-(2,6-difluorophenyl)-3-[(2-methylphenyl)methyl]urea
CID 47133130
N'-(2,6-difluorophenyl)-N-(2,4,6-trimethylphenyl)oxamide
CID 108512223
N-(2,6-dimethylphenyl)-2-fluorobenzamide
CID 4097270
1-(2,6-difluorophenyl)-3-(2,6-dimethoxyphenyl)urea
CID 108867921
2-fluoro-N-(2-fluoro-6-methylphenyl)benzamide
CID 115909344
1-cyclobutyl-3-(2-fluoro-6-methylphenyl)urea
CID 104721687
1-(4-bromo-3-methylphenyl)-3-(2,6-difluorophenyl)urea
CID 108992661
1-(3-chloro-4-methylphenyl)-3-(2,6-difluorophenyl)urea
CID 108991867
N,N'-bis(2,6-dimethylphenyl)oxamide
CID 3764178
1-(3-fluoro-2-methylphenyl)-3-(2,4,6-trimethylphenyl)urea
CID 46860092
1-(4-aminophenyl)-3-(2,6-difluorophenyl)urea
CID 43469078

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-3-(2,6-dimethylphenyl)urea?
The IUPAC name of 1-(2,6-difluorophenyl)-3-(2,6-dimethylphenyl)urea (CID 108991420) is 1-(2,6-difluorophenyl)-3-(2,6-dimethylphenyl)urea.
What is the SMILES notation for 1-(2,6-difluorophenyl)-3-(2,6-dimethylphenyl)urea?
The canonical SMILES for 1-(2,6-difluorophenyl)-3-(2,6-dimethylphenyl)urea is Cc1cccc(C)c1NC(=O)Nc1c(F)cccc1F.
What is the InChIKey of 1-(2,6-difluorophenyl)-3-(2,6-dimethylphenyl)urea?
The InChIKey is QJWZDJNHQNANKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N2O/c1-9-5-3-6-10(2)13(9)18-15(20)19-14-11(16)7-4-8-12(14)17/h3-8H,1-2H3,(H2,18,19,20).
What are the key properties of 1-(2,6-difluorophenyl)-3-(2,6-dimethylphenyl)urea?
1-(2,6-difluorophenyl)-3-(2,6-dimethylphenyl)urea has a molecular weight of 276.29 g/mol, XLogP of 4.23, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-3-(2,6-dimethylphenyl)urea is sourced from PubChem (CID 108991420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).