1-(4-oxocyclohexyl)-3-[2-(trifluoromethyl)phenyl]urea

C14H15F3N2O2 — CID 61314248

IUPAC1-(4-oxocyclohexyl)-3-[2-(trifluoromethyl)phenyl]urea
SMILESO=C1CCC(NC(=O)Nc2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C14H15F3N2O2/c15-14(16,17)11-3-1-2-4-12(11)19-13(21)18-9-5-7-10(20)8-6-9/h1-4,9H,5-8H2,(H2,18,19,21)
InChIKeyFWGMTWXIURYHRY-UHFFFAOYSA-N
MW300.28 g/mol
LogP3.34
Rot. Bonds2

About 1-(4-oxocyclohexyl)-3-[2-(trifluoromethyl)phenyl]urea

1-(4-oxocyclohexyl)-3-[2-(trifluoromethyl)phenyl]urea (PubChem CID 61314248) has the molecular formula C14H15F3N2O2 and a molecular weight of 300.28 g/mol. Its IUPAC name is 1-(4-oxocyclohexyl)-3-[2-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-(4-oxocyclohexyl)-3-[2-(trifluoromethyl)phenyl]urea
PubChem CID61314248
Molecular FormulaC14H15F3N2O2
Molecular Weight300.28 g/mol
Exact Mass300.11
IUPAC Name1-(4-oxocyclohexyl)-3-[2-(trifluoromethyl)phenyl]urea
SMILESO=C1CCC(NC(=O)Nc2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C14H15F3N2O2/c15-14(16,17)11-3-1-2-4-12(11)19-13(21)18-9-5-7-10(20)8-6-9/h1-4,9H,5-8H2,(H2,18,19,21)
InChIKeyFWGMTWXIURYHRY-UHFFFAOYSA-N
XLogP3.34
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.28
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-oxopyrrolidin-3-yl)-3-[2-(trifluoromethyl)phenyl]urea
CID 56765684
1-(3-methylcyclohexyl)-3-[2-(trifluoromethyl)phenyl]urea
CID 47031918
N-cyclopentyl-N'-[2-(trifluoromethyl)phenyl]oxamide
CID 45000423
1-(1-cyclopropylpyrrolidin-3-yl)-3-[2-(trifluoromethyl)phenyl]urea
CID 51102219
1-[1-(2-methoxyethyl)piperidin-4-yl]-3-[2-(trifluoromethyl)phenyl]urea
CID 51093545
1-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 90634468
1-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)-3-[2-(trifluoromethyl)phenyl]urea
CID 108876751
1-(2,4-difluorophenyl)-3-(4-oxocyclohexyl)urea
CID 43652927
1-(3-hydroxy-2,2-dimethylcyclobutyl)-3-[2-(trifluoromethyl)phenyl]urea
CID 114631435
N,N'-bis[2-(trifluoromethyl)phenyl]oxamide
CID 3696493
6-N-cyclopropyl-2-N-[2-(trifluoromethyl)phenyl]pyridine-2,6-dicarboxamide
CID 109093944
N-cycloheptyl-2,2-dimethyl-N'-[2-(trifluoromethyl)phenyl]propanediamide
CID 108966127

Frequently Asked Questions

What is the IUPAC name of 1-(4-oxocyclohexyl)-3-[2-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-(4-oxocyclohexyl)-3-[2-(trifluoromethyl)phenyl]urea (CID 61314248) is 1-(4-oxocyclohexyl)-3-[2-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-(4-oxocyclohexyl)-3-[2-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-(4-oxocyclohexyl)-3-[2-(trifluoromethyl)phenyl]urea is O=C1CCC(NC(=O)Nc2ccccc2C(F)(F)F)CC1.
What is the InChIKey of 1-(4-oxocyclohexyl)-3-[2-(trifluoromethyl)phenyl]urea?
The InChIKey is FWGMTWXIURYHRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2O2/c15-14(16,17)11-3-1-2-4-12(11)19-13(21)18-9-5-7-10(20)8-6-9/h1-4,9H,5-8H2,(H2,18,19,21).
What are the key properties of 1-(4-oxocyclohexyl)-3-[2-(trifluoromethyl)phenyl]urea?
1-(4-oxocyclohexyl)-3-[2-(trifluoromethyl)phenyl]urea has a molecular weight of 300.28 g/mol, XLogP of 3.34, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-oxocyclohexyl)-3-[2-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 61314248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).