N-(5-methyl-3-oxocyclohexen-1-yl)-3-(trifluoromethyl)benzamide

C15H14F3NO2 — CID 164887490

IUPACN-(5-methyl-3-oxocyclohexen-1-yl)-3-(trifluoromethyl)benzamide
SMILESCC1CC(=O)C=C(NC(=O)c2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C15H14F3NO2/c1-9-5-12(8-13(20)6-9)19-14(21)10-3-2-4-11(7-10)15(16,17)18/h2-4,7-9H,5-6H2,1H3,(H,19,21)
InChIKeyVRHFJCNAIWFYLN-UHFFFAOYSA-N
MW297.28 g/mol
LogP3.32
Rot. Bonds2

About N-(5-methyl-3-oxocyclohexen-1-yl)-3-(trifluoromethyl)benzamide

N-(5-methyl-3-oxocyclohexen-1-yl)-3-(trifluoromethyl)benzamide (PubChem CID 164887490) has the molecular formula C15H14F3NO2 and a molecular weight of 297.28 g/mol. Its IUPAC name is N-(5-methyl-3-oxocyclohexen-1-yl)-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(5-methyl-3-oxocyclohexen-1-yl)-3-(trifluoromethyl)benzamide
PubChem CID164887490
Molecular FormulaC15H14F3NO2
Molecular Weight297.28 g/mol
Exact Mass297.10
IUPAC NameN-(5-methyl-3-oxocyclohexen-1-yl)-3-(trifluoromethyl)benzamide
SMILESCC1CC(=O)C=C(NC(=O)c2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C15H14F3NO2/c1-9-5-12(8-13(20)6-9)19-14(21)10-3-2-4-11(7-10)15(16,17)18/h2-4,7-9H,5-6H2,1H3,(H,19,21)
InChIKeyVRHFJCNAIWFYLN-UHFFFAOYSA-N
XLogP3.32
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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N-((1S,5R)-2-acetyl-6,6-dimethylbicyclo[3.1.0]hex-2-en-3-yl)-2-fluorobenzamide
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N-propan-2-yl-3-(trifluoromethyl)benzamide
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N-(2,4-dioxo-1H-pyrimidin-6-yl)-3-(trifluoromethyl)benzamide
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N-(1,2-dihydro-1,2-dioxonaphthalen-4-yl)acetamide
CID 14856697
N-(5-Methyl-3-oxo-1-cyclohexen-1-yl)-3,5-bis(trifluoromethyl)-benzamide
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N-(5-methyl-3-oxocyclohexen-1-yl)-2-(trifluoromethyl)benzamide
CID 168285506
N-heptan-4-yl-3-(trifluoromethyl)benzamide
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N-((E)-1-((1S,5R)-6,6-dimethyl-3-oxobicyclo[3.1.0]hexan-2-ylidene)ethyl)-2-fluorobenzamide
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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-3-oxocyclohexen-1-yl)-3-(trifluoromethyl)benzamide?
The IUPAC name of N-(5-methyl-3-oxocyclohexen-1-yl)-3-(trifluoromethyl)benzamide (CID 164887490) is N-(5-methyl-3-oxocyclohexen-1-yl)-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(5-methyl-3-oxocyclohexen-1-yl)-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-(5-methyl-3-oxocyclohexen-1-yl)-3-(trifluoromethyl)benzamide is CC1CC(=O)C=C(NC(=O)c2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of N-(5-methyl-3-oxocyclohexen-1-yl)-3-(trifluoromethyl)benzamide?
The InChIKey is VRHFJCNAIWFYLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO2/c1-9-5-12(8-13(20)6-9)19-14(21)10-3-2-4-11(7-10)15(16,17)18/h2-4,7-9H,5-6H2,1H3,(H,19,21).
What are the key properties of N-(5-methyl-3-oxocyclohexen-1-yl)-3-(trifluoromethyl)benzamide?
N-(5-methyl-3-oxocyclohexen-1-yl)-3-(trifluoromethyl)benzamide has a molecular weight of 297.28 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-3-oxocyclohexen-1-yl)-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 164887490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).