N-(5-methyl-3-oxocyclohexen-1-yl)-4-(trifluoromethyl)benzamide

C15H14F3NO2 — CID 134387047

IUPACN-(5-methyl-3-oxocyclohexen-1-yl)-4-(trifluoromethyl)benzamide
SMILESCC1CC(=O)C=C(NC(=O)c2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C15H14F3NO2/c1-9-6-12(8-13(20)7-9)19-14(21)10-2-4-11(5-3-10)15(16,17)18/h2-5,8-9H,6-7H2,1H3,(H,19,21)
InChIKeyFAVJAJGLVOGPLA-UHFFFAOYSA-N
MW297.28 g/mol
LogP3.32
Rot. Bonds2

About N-(5-methyl-3-oxocyclohexen-1-yl)-4-(trifluoromethyl)benzamide

N-(5-methyl-3-oxocyclohexen-1-yl)-4-(trifluoromethyl)benzamide (PubChem CID 134387047) 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)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(5-methyl-3-oxocyclohexen-1-yl)-4-(trifluoromethyl)benzamide
PubChem CID134387047
Molecular FormulaC15H14F3NO2
Molecular Weight297.28 g/mol
Exact Mass297.10
IUPAC NameN-(5-methyl-3-oxocyclohexen-1-yl)-4-(trifluoromethyl)benzamide
SMILESCC1CC(=O)C=C(NC(=O)c2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C15H14F3NO2/c1-9-6-12(8-13(20)7-9)19-14(21)10-2-4-11(5-3-10)15(16,17)18/h2-5,8-9H,6-7H2,1H3,(H,19,21)
InChIKeyFAVJAJGLVOGPLA-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

Analyze N-(5-methyl-3-oxocyclohexen-1-yl)-4-(trifluoromethyl)benzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-3-oxocyclohexen-1-yl)-4-(trifluoromethyl)benzamide?
The IUPAC name of N-(5-methyl-3-oxocyclohexen-1-yl)-4-(trifluoromethyl)benzamide (CID 134387047) is N-(5-methyl-3-oxocyclohexen-1-yl)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(5-methyl-3-oxocyclohexen-1-yl)-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-(5-methyl-3-oxocyclohexen-1-yl)-4-(trifluoromethyl)benzamide is CC1CC(=O)C=C(NC(=O)c2ccc(C(F)(F)F)cc2)C1.
What is the InChIKey of N-(5-methyl-3-oxocyclohexen-1-yl)-4-(trifluoromethyl)benzamide?
The InChIKey is FAVJAJGLVOGPLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO2/c1-9-6-12(8-13(20)7-9)19-14(21)10-2-4-11(5-3-10)15(16,17)18/h2-5,8-9H,6-7H2,1H3,(H,19,21).
What are the key properties of N-(5-methyl-3-oxocyclohexen-1-yl)-4-(trifluoromethyl)benzamide?
N-(5-methyl-3-oxocyclohexen-1-yl)-4-(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)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 134387047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).