1-(2,4-difluorophenyl)-3-(2-ethyl-6-methylphenyl)urea

C16H16F2N2O — CID 108991584

IUPAC1-(2,4-difluorophenyl)-3-(2-ethyl-6-methylphenyl)urea
SMILESCCc1cccc(C)c1NC(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C16H16F2N2O/c1-3-11-6-4-5-10(2)15(11)20-16(21)19-14-8-7-12(17)9-13(14)18/h4-9H,3H2,1-2H3,(H2,19,20,21)
InChIKeyHANDRLJBGDLOAM-UHFFFAOYSA-N
MW290.31 g/mol
LogP4.48
Rot. Bonds3

About 1-(2,4-difluorophenyl)-3-(2-ethyl-6-methylphenyl)urea

1-(2,4-difluorophenyl)-3-(2-ethyl-6-methylphenyl)urea (PubChem CID 108991584) has the molecular formula C16H16F2N2O and a molecular weight of 290.31 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-(2-ethyl-6-methylphenyl)urea.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-(2-ethyl-6-methylphenyl)urea
PubChem CID108991584
Molecular FormulaC16H16F2N2O
Molecular Weight290.31 g/mol
Exact Mass290.12
IUPAC Name1-(2,4-difluorophenyl)-3-(2-ethyl-6-methylphenyl)urea
SMILESCCc1cccc(C)c1NC(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C16H16F2N2O/c1-3-11-6-4-5-10(2)15(11)20-16(21)19-14-8-7-12(17)9-13(14)18/h4-9H,3H2,1-2H3,(H2,19,20,21)
InChIKeyHANDRLJBGDLOAM-UHFFFAOYSA-N
XLogP4.48
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.31
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2,4-difluorophenyl)-2-(2-ethyl-6-methylanilino)acetamide
CID 33004326
N'-(2,6-diethylphenyl)-N-(2,4-difluorophenyl)propanediamide
CID 108954543
2-(2,4-difluoroanilino)-N-(2-ethyl-6-methylphenyl)pyrimidine-5-carboxamide
CID 109267749
1-(2,4-difluorophenyl)-3-(4-fluoro-2-methylphenyl)urea
CID 17263659
N-(2-ethyl-6-methylphenyl)-4-fluoro-2-methylbenzamide
CID 115573702
1-(2,4-difluorophenyl)-3-(5-fluoro-2-methylphenyl)urea
CID 46859678
3-(2,5-difluorophenyl)-N-(2-ethyl-6-methylphenyl)propanamide
CID 60564582
2-bromo-N-(2-ethyl-6-methylphenyl)-5-fluorobenzamide
CID 24693167
1-(2-ethyl-6-methylphenyl)-3-[(E)-2-(3-fluorophenyl)ethenyl]urea
CID 108906142
1-(2-chlorophenyl)-3-(2-ethyl-6-methylphenyl)urea
CID 3704943
N'-(2-ethyl-6-methylphenyl)-N-(3-fluorophenyl)propanediamide
CID 108954227
1-(2-ethyl-6-methylphenyl)-3-prop-1-en-2-ylurea
CID 108910219

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3-(2-ethyl-6-methylphenyl)urea?
The IUPAC name of 1-(2,4-difluorophenyl)-3-(2-ethyl-6-methylphenyl)urea (CID 108991584) is 1-(2,4-difluorophenyl)-3-(2-ethyl-6-methylphenyl)urea.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3-(2-ethyl-6-methylphenyl)urea?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-(2-ethyl-6-methylphenyl)urea is CCc1cccc(C)c1NC(=O)Nc1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-3-(2-ethyl-6-methylphenyl)urea?
The InChIKey is HANDRLJBGDLOAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N2O/c1-3-11-6-4-5-10(2)15(11)20-16(21)19-14-8-7-12(17)9-13(14)18/h4-9H,3H2,1-2H3,(H2,19,20,21).
What are the key properties of 1-(2,4-difluorophenyl)-3-(2-ethyl-6-methylphenyl)urea?
1-(2,4-difluorophenyl)-3-(2-ethyl-6-methylphenyl)urea has a molecular weight of 290.31 g/mol, XLogP of 4.48, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-3-(2-ethyl-6-methylphenyl)urea is sourced from PubChem (CID 108991584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).