N-cyclohex-2-en-1-yl-4-(trifluoromethyl)benzamide

C14H14F3NO — CID 86228367

IUPACN-cyclohex-2-en-1-yl-4-(trifluoromethyl)benzamide
SMILESO=C(NC1C=CCCC1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H14F3NO/c15-14(16,17)11-8-6-10(7-9-11)13(19)18-12-4-2-1-3-5-12/h2,4,6-9,12H,1,3,5H2,(H,18,19)
InChIKeyWDAYAHKEVICOKK-UHFFFAOYSA-N
MW269.27 g/mol
LogP3.54
Rot. Bonds2

About N-cyclohex-2-en-1-yl-4-(trifluoromethyl)benzamide

N-cyclohex-2-en-1-yl-4-(trifluoromethyl)benzamide (PubChem CID 86228367) has the molecular formula C14H14F3NO and a molecular weight of 269.27 g/mol. Its IUPAC name is N-cyclohex-2-en-1-yl-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-cyclohex-2-en-1-yl-4-(trifluoromethyl)benzamide
PubChem CID86228367
Molecular FormulaC14H14F3NO
Molecular Weight269.27 g/mol
Exact Mass269.10
IUPAC NameN-cyclohex-2-en-1-yl-4-(trifluoromethyl)benzamide
SMILESO=C(NC1C=CCCC1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H14F3NO/c15-14(16,17)11-8-6-10(7-9-11)13(19)18-12-4-2-1-3-5-12/h2,4,6-9,12H,1,3,5H2,(H,18,19)
InChIKeyWDAYAHKEVICOKK-UHFFFAOYSA-N
XLogP3.54
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(2Z)-cyclooct-2-en-1-yl]benzamide
CID 101020756
4-(trifluoromethyl)-N-[5-[[4-(trifluoromethyl)benzoyl]amino]-2-bicyclo[2.2.1]heptanyl]benzamide
CID 155257067
N-(2-bromocyclohexyl)-4-(trifluoromethyl)benzamide
CID 114312028
N-(2-oxocyclohexyl)-4-(trifluoromethyl)benzamide
CID 67060770
N-[2-(dimethylamino)cyclohexyl]-4-(trifluoromethyl)benzamide
CID 23349714
N-[2-(bromomethyl)cyclohexyl]-4-(trifluoromethyl)benzamide
CID 106367297
N-cyclopent-2-en-1-yl-4-nitrobenzamide
CID 14688662
N-(1,1-dioxothiolan-3-yl)-4-(trifluoromethyl)benzamide
CID 17475086
cyclopentyl 4-(trifluoromethyl)benzoate
CID 599230
N-[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-4-(trifluoromethyl)benzamide
CID 126780268
N-[(3S)-1-acetylpyrrolidin-3-yl]-4-(trifluoromethyl)benzamide
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N-(3-methylpiperidin-4-yl)-4-(trifluoromethyl)benzamide
CID 79886798

Frequently Asked Questions

What is the IUPAC name of N-cyclohex-2-en-1-yl-4-(trifluoromethyl)benzamide?
The IUPAC name of N-cyclohex-2-en-1-yl-4-(trifluoromethyl)benzamide (CID 86228367) is N-cyclohex-2-en-1-yl-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-cyclohex-2-en-1-yl-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-cyclohex-2-en-1-yl-4-(trifluoromethyl)benzamide is O=C(NC1C=CCCC1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-cyclohex-2-en-1-yl-4-(trifluoromethyl)benzamide?
The InChIKey is WDAYAHKEVICOKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3NO/c15-14(16,17)11-8-6-10(7-9-11)13(19)18-12-4-2-1-3-5-12/h2,4,6-9,12H,1,3,5H2,(H,18,19).
What are the key properties of N-cyclohex-2-en-1-yl-4-(trifluoromethyl)benzamide?
N-cyclohex-2-en-1-yl-4-(trifluoromethyl)benzamide has a molecular weight of 269.27 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohex-2-en-1-yl-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 86228367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).