1-(2-methyl-1,3-dioxoisoindol-5-yl)-3-[4-(trifluoromethyl)cyclohexyl]urea

C17H18F3N3O3 — CID 24664740

IUPAC1-(2-methyl-1,3-dioxoisoindol-5-yl)-3-[4-(trifluoromethyl)cyclohexyl]urea
SMILESCN1C(=O)c2ccc(NC(=O)NC3CCC(C(F)(F)F)CC3)cc2C1=O
InChIInChI=1S/C17H18F3N3O3/c1-23-14(24)12-7-6-11(8-13(12)15(23)25)22-16(26)21-10-4-2-9(3-5-10)17(18,19)20/h6-10H,2-5H2,1H3,(H2,21,22,26)
InChIKeyGHXLELAIYLTQTG-UHFFFAOYSA-N
MW369.34 g/mol
LogP3.15
Rot. Bonds2

About 1-(2-methyl-1,3-dioxoisoindol-5-yl)-3-[4-(trifluoromethyl)cyclohexyl]urea

1-(2-methyl-1,3-dioxoisoindol-5-yl)-3-[4-(trifluoromethyl)cyclohexyl]urea (PubChem CID 24664740) has the molecular formula C17H18F3N3O3 and a molecular weight of 369.34 g/mol. Its IUPAC name is 1-(2-methyl-1,3-dioxoisoindol-5-yl)-3-[4-(trifluoromethyl)cyclohexyl]urea.

Molecular Properties

Compound Name1-(2-methyl-1,3-dioxoisoindol-5-yl)-3-[4-(trifluoromethyl)cyclohexyl]urea
PubChem CID24664740
Molecular FormulaC17H18F3N3O3
Molecular Weight369.34 g/mol
Exact Mass369.13
IUPAC Name1-(2-methyl-1,3-dioxoisoindol-5-yl)-3-[4-(trifluoromethyl)cyclohexyl]urea
SMILESCN1C(=O)c2ccc(NC(=O)NC3CCC(C(F)(F)F)CC3)cc2C1=O
InChIInChI=1S/C17H18F3N3O3/c1-23-14(24)12-7-6-11(8-13(12)15(23)25)22-16(26)21-10-4-2-9(3-5-10)17(18,19)20/h6-10H,2-5H2,1H3,(H2,21,22,26)
InChIKeyGHXLELAIYLTQTG-UHFFFAOYSA-N
XLogP3.15
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.34
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-(2-methyl-1,3-dioxoisoindol-5-yl)-3-(1-methylsulfonylpiperidin-4-yl)urea
CID 24664745
1-(4-fluorophenyl)-3-[4-(trifluoromethyl)cyclohexyl]urea
CID 24651175
2-(cyclopropylamino)-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide
CID 60661183
1-cyclohexyl-3-(1,3-dioxo-2-propan-2-ylisoindol-5-yl)urea
CID 108872072
3-(cyclopropylamino)-N-(2-methyl-1,3-dioxoisoindol-5-yl)propanamide
CID 60841920
1-(4-sulfamoylphenyl)-3-[4-(trifluoromethyl)cyclohexyl]urea
CID 24651183
1-ethyl-3-(2-methyl-1,3-dioxoisoindol-5-yl)urea
CID 24664343
1-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]-3-[4-(trifluoromethyl)cyclohexyl]urea
CID 166181142
1-cyclopropyl-3-(4-methyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-7-yl)urea
CID 45497278
1-cyclopropyl-3-(4-fluorophenyl)urea
CID 840492
2-[3-(methylamino)piperidin-1-yl]-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide;hydrochloride
CID 119919466
1-[4-bromo-3-(trifluoromethyl)phenyl]-3-cyclopropylurea
CID 115575186

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-1,3-dioxoisoindol-5-yl)-3-[4-(trifluoromethyl)cyclohexyl]urea?
The IUPAC name of 1-(2-methyl-1,3-dioxoisoindol-5-yl)-3-[4-(trifluoromethyl)cyclohexyl]urea (CID 24664740) is 1-(2-methyl-1,3-dioxoisoindol-5-yl)-3-[4-(trifluoromethyl)cyclohexyl]urea.
What is the SMILES notation for 1-(2-methyl-1,3-dioxoisoindol-5-yl)-3-[4-(trifluoromethyl)cyclohexyl]urea?
The canonical SMILES for 1-(2-methyl-1,3-dioxoisoindol-5-yl)-3-[4-(trifluoromethyl)cyclohexyl]urea is CN1C(=O)c2ccc(NC(=O)NC3CCC(C(F)(F)F)CC3)cc2C1=O.
What is the InChIKey of 1-(2-methyl-1,3-dioxoisoindol-5-yl)-3-[4-(trifluoromethyl)cyclohexyl]urea?
The InChIKey is GHXLELAIYLTQTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3O3/c1-23-14(24)12-7-6-11(8-13(12)15(23)25)22-16(26)21-10-4-2-9(3-5-10)17(18,19)20/h6-10H,2-5H2,1H3,(H2,21,22,26).
What are the key properties of 1-(2-methyl-1,3-dioxoisoindol-5-yl)-3-[4-(trifluoromethyl)cyclohexyl]urea?
1-(2-methyl-1,3-dioxoisoindol-5-yl)-3-[4-(trifluoromethyl)cyclohexyl]urea has a molecular weight of 369.34 g/mol, XLogP of 3.15, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-1,3-dioxoisoindol-5-yl)-3-[4-(trifluoromethyl)cyclohexyl]urea is sourced from PubChem (CID 24664740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).