1-(2,6-difluorophenyl)-3-[(2-methylphenyl)methyl]urea

C15H14F2N2O — CID 47133130

IUPAC1-(2,6-difluorophenyl)-3-[(2-methylphenyl)methyl]urea
SMILESCc1ccccc1CNC(=O)Nc1c(F)cccc1F
InChIInChI=1S/C15H14F2N2O/c1-10-5-2-3-6-11(10)9-18-15(20)19-14-12(16)7-4-8-13(14)17/h2-8H,9H2,1H3,(H2,18,19,20)
InChIKeyVQLMXUGUAKQVKL-UHFFFAOYSA-N
MW276.29 g/mol
LogP3.59
Rot. Bonds3

About 1-(2,6-difluorophenyl)-3-[(2-methylphenyl)methyl]urea

1-(2,6-difluorophenyl)-3-[(2-methylphenyl)methyl]urea (PubChem CID 47133130) has the molecular formula C15H14F2N2O and a molecular weight of 276.29 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-3-[(2-methylphenyl)methyl]urea.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-3-[(2-methylphenyl)methyl]urea
PubChem CID47133130
Molecular FormulaC15H14F2N2O
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name1-(2,6-difluorophenyl)-3-[(2-methylphenyl)methyl]urea
SMILESCc1ccccc1CNC(=O)Nc1c(F)cccc1F
InChIInChI=1S/C15H14F2N2O/c1-10-5-2-3-6-11(10)9-18-15(20)19-14-12(16)7-4-8-13(14)17/h2-8H,9H2,1H3,(H2,18,19,20)
InChIKeyVQLMXUGUAKQVKL-UHFFFAOYSA-N
XLogP3.59
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

3-N-(2,6-difluorophenyl)-1-N-[(2-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109054270
1-[(4-acetyl-2-methylphenyl)methyl]-3-(2,6-difluorophenyl)urea
CID 58801034
1-(2,6-dichlorophenyl)-3-[(2-fluorophenyl)methyl]urea
CID 108897575
2,3-difluoro-N-[(2-methylphenyl)methyl]benzamide
CID 62649874
1-(2,6-difluorophenyl)-3-(2,6-dimethylphenyl)urea
CID 108991420
1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(2-fluorophenyl)methyl]urea
CID 47480737
N-[4-[(2-methylphenyl)methylcarbamoylamino]phenyl]acetamide
CID 108897103
1-[(2-fluorophenyl)methyl]-3-[1-(2-methylphenyl)ethyl]urea
CID 51274243
4-N-(2,6-dimethylphenyl)-1-N-[(2-fluorophenyl)methyl]benzene-1,4-dicarboxamide
CID 109047191
1-[(E)-2-(2-fluorophenyl)ethenyl]-3-[(2-methylphenyl)methyl]urea
CID 108904515
N'-(2-fluorophenyl)-N-[(2-methylphenyl)methyl]propanediamide
CID 108945445
N'-(2-ethyl-6-methylphenyl)-N-[(2-fluorophenyl)methyl]propanediamide
CID 108946276

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-3-[(2-methylphenyl)methyl]urea?
The IUPAC name of 1-(2,6-difluorophenyl)-3-[(2-methylphenyl)methyl]urea (CID 47133130) is 1-(2,6-difluorophenyl)-3-[(2-methylphenyl)methyl]urea.
What is the SMILES notation for 1-(2,6-difluorophenyl)-3-[(2-methylphenyl)methyl]urea?
The canonical SMILES for 1-(2,6-difluorophenyl)-3-[(2-methylphenyl)methyl]urea is Cc1ccccc1CNC(=O)Nc1c(F)cccc1F.
What is the InChIKey of 1-(2,6-difluorophenyl)-3-[(2-methylphenyl)methyl]urea?
The InChIKey is VQLMXUGUAKQVKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N2O/c1-10-5-2-3-6-11(10)9-18-15(20)19-14-12(16)7-4-8-13(14)17/h2-8H,9H2,1H3,(H2,18,19,20).
What are the key properties of 1-(2,6-difluorophenyl)-3-[(2-methylphenyl)methyl]urea?
1-(2,6-difluorophenyl)-3-[(2-methylphenyl)methyl]urea has a molecular weight of 276.29 g/mol, XLogP of 3.59, 3 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-methylphenyl)methyl]urea is sourced from PubChem (CID 47133130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).