1-(2,6-dimethylphenyl)-3-(3-fluoro-2-methylphenyl)urea

C16H17FN2O — CID 46860101

IUPAC1-(2,6-dimethylphenyl)-3-(3-fluoro-2-methylphenyl)urea
SMILESCc1cccc(C)c1NC(=O)Nc1cccc(F)c1C
InChIInChI=1S/C16H17FN2O/c1-10-6-4-7-11(2)15(10)19-16(20)18-14-9-5-8-13(17)12(14)3/h4-9H,1-3H3,(H2,18,19,20)
InChIKeyHVZLDTIAFTVQNC-UHFFFAOYSA-N
MW272.32 g/mol
LogP4.39
Rot. Bonds2

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

1-(2,6-dimethylphenyl)-3-(3-fluoro-2-methylphenyl)urea (PubChem CID 46860101) has the molecular formula C16H17FN2O and a molecular weight of 272.32 g/mol. Its IUPAC name is 1-(2,6-dimethylphenyl)-3-(3-fluoro-2-methylphenyl)urea.

Molecular Properties

Compound Name1-(2,6-dimethylphenyl)-3-(3-fluoro-2-methylphenyl)urea
PubChem CID46860101
Molecular FormulaC16H17FN2O
Molecular Weight272.32 g/mol
Exact Mass272.13
IUPAC Name1-(2,6-dimethylphenyl)-3-(3-fluoro-2-methylphenyl)urea
SMILESCc1cccc(C)c1NC(=O)Nc1cccc(F)c1C
InChIInChI=1S/C16H17FN2O/c1-10-6-4-7-11(2)15(10)19-16(20)18-14-9-5-8-13(17)12(14)3/h4-9H,1-3H3,(H2,18,19,20)
InChIKeyHVZLDTIAFTVQNC-UHFFFAOYSA-N
XLogP4.39
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 1-(2,6-dimethylphenyl)-3-(3-fluoro-2-methylphenyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-fluoro-2-methylphenyl)-3-(2,4,6-trimethylphenyl)urea
CID 46860092
1-(2,6-difluorophenyl)-3-(2,6-dimethylphenyl)urea
CID 108991420
1-(3,4-difluorophenyl)-3-(3-fluoro-2-methylphenyl)urea
CID 46860135
2,2-difluoro-N-(3-fluoro-2-methylphenyl)acetamide
CID 103515626
1-(4-chloro-3-methylphenyl)-3-(3-fluoro-2-methylphenyl)urea
CID 46860179
1-(2,3-dichlorophenyl)-3-(2,6-dimethylphenyl)urea
CID 108991413
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
4-(3-fluoro-2-methylanilino)-2,3-dimethyl-4-oxobutanoic acid
CID 103498147
1-(2-cyanophenyl)-3-(2,6-dimethylphenyl)urea
CID 108991418
3-[(2-fluorophenyl)carbamoylamino]-2-methylbenzoic acid
CID 62947575

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylphenyl)-3-(3-fluoro-2-methylphenyl)urea?
The IUPAC name of 1-(2,6-dimethylphenyl)-3-(3-fluoro-2-methylphenyl)urea (CID 46860101) is 1-(2,6-dimethylphenyl)-3-(3-fluoro-2-methylphenyl)urea.
What is the SMILES notation for 1-(2,6-dimethylphenyl)-3-(3-fluoro-2-methylphenyl)urea?
The canonical SMILES for 1-(2,6-dimethylphenyl)-3-(3-fluoro-2-methylphenyl)urea is Cc1cccc(C)c1NC(=O)Nc1cccc(F)c1C.
What is the InChIKey of 1-(2,6-dimethylphenyl)-3-(3-fluoro-2-methylphenyl)urea?
The InChIKey is HVZLDTIAFTVQNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O/c1-10-6-4-7-11(2)15(10)19-16(20)18-14-9-5-8-13(17)12(14)3/h4-9H,1-3H3,(H2,18,19,20).
What are the key properties of 1-(2,6-dimethylphenyl)-3-(3-fluoro-2-methylphenyl)urea?
1-(2,6-dimethylphenyl)-3-(3-fluoro-2-methylphenyl)urea has a molecular weight of 272.32 g/mol, XLogP of 4.39, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylphenyl)-3-(3-fluoro-2-methylphenyl)urea is sourced from PubChem (CID 46860101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).