1-(3-fluoro-2-methylphenyl)-3-(2,4,6-trimethylphenyl)urea

C17H19FN2O — CID 46860092

IUPAC1-(3-fluoro-2-methylphenyl)-3-(2,4,6-trimethylphenyl)urea
SMILESCc1cc(C)c(NC(=O)Nc2cccc(F)c2C)c(C)c1
InChIInChI=1S/C17H19FN2O/c1-10-8-11(2)16(12(3)9-10)20-17(21)19-15-7-5-6-14(18)13(15)4/h5-9H,1-4H3,(H2,19,20,21)
InChIKeyWLZWQOUPWSQCNL-UHFFFAOYSA-N
MW286.35 g/mol
LogP4.70
Rot. Bonds2

About 1-(3-fluoro-2-methylphenyl)-3-(2,4,6-trimethylphenyl)urea

1-(3-fluoro-2-methylphenyl)-3-(2,4,6-trimethylphenyl)urea (PubChem CID 46860092) has the molecular formula C17H19FN2O and a molecular weight of 286.35 g/mol. Its IUPAC name is 1-(3-fluoro-2-methylphenyl)-3-(2,4,6-trimethylphenyl)urea.

Molecular Properties

Compound Name1-(3-fluoro-2-methylphenyl)-3-(2,4,6-trimethylphenyl)urea
PubChem CID46860092
Molecular FormulaC17H19FN2O
Molecular Weight286.35 g/mol
Exact Mass286.15
IUPAC Name1-(3-fluoro-2-methylphenyl)-3-(2,4,6-trimethylphenyl)urea
SMILESCc1cc(C)c(NC(=O)Nc2cccc(F)c2C)c(C)c1
InChIInChI=1S/C17H19FN2O/c1-10-8-11(2)16(12(3)9-10)20-17(21)19-15-7-5-6-14(18)13(15)4/h5-9H,1-4H3,(H2,19,20,21)
InChIKeyWLZWQOUPWSQCNL-UHFFFAOYSA-N
XLogP4.70
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 54.70
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-(3,4-difluorophenyl)-3-(3-fluoro-2-methylphenyl)urea
CID 46860135
N'-(2,6-difluorophenyl)-N-(2,4,6-trimethylphenyl)oxamide
CID 108512223
1-(4-chloro-3-methylphenyl)-3-(3-fluoro-2-methylphenyl)urea
CID 46860179
1-(2,6-difluorophenyl)-3-(2,6-dimethylphenyl)urea
CID 108991420
2,2-difluoro-N-(3-fluoro-2-methylphenyl)acetamide
CID 103515626
1-[2-(2-fluorophenyl)ethyl]-3-(2,4,6-trimethylphenyl)urea
CID 108900009
1-(2,3-dimethylphenyl)-3-(3,5-dimethylphenyl)urea
CID 17279836
1-(4-cyanophenyl)-3-(3-fluoro-2-methylphenyl)urea
CID 46860121
3-[(3-fluoro-2-methylphenyl)carbamoylamino]pyridine-2-carboxylic acid
CID 104743485
1-(3-fluoro-2-methylphenyl)-3-(4-sulfamoylphenyl)urea
CID 46860176
1-(3-acetylphenyl)-3-(2,4,6-trimethylphenyl)urea
CID 108991665

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-2-methylphenyl)-3-(2,4,6-trimethylphenyl)urea?
The IUPAC name of 1-(3-fluoro-2-methylphenyl)-3-(2,4,6-trimethylphenyl)urea (CID 46860092) is 1-(3-fluoro-2-methylphenyl)-3-(2,4,6-trimethylphenyl)urea.
What is the SMILES notation for 1-(3-fluoro-2-methylphenyl)-3-(2,4,6-trimethylphenyl)urea?
The canonical SMILES for 1-(3-fluoro-2-methylphenyl)-3-(2,4,6-trimethylphenyl)urea is Cc1cc(C)c(NC(=O)Nc2cccc(F)c2C)c(C)c1.
What is the InChIKey of 1-(3-fluoro-2-methylphenyl)-3-(2,4,6-trimethylphenyl)urea?
The InChIKey is WLZWQOUPWSQCNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O/c1-10-8-11(2)16(12(3)9-10)20-17(21)19-15-7-5-6-14(18)13(15)4/h5-9H,1-4H3,(H2,19,20,21).
What are the key properties of 1-(3-fluoro-2-methylphenyl)-3-(2,4,6-trimethylphenyl)urea?
1-(3-fluoro-2-methylphenyl)-3-(2,4,6-trimethylphenyl)urea has a molecular weight of 286.35 g/mol, XLogP of 4.70, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-2-methylphenyl)-3-(2,4,6-trimethylphenyl)urea is sourced from PubChem (CID 46860092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).