N-(2-oxocyclohexyl)-4-(trifluoromethyl)benzamide

C14H14F3NO2 — CID 67060770

IUPACN-(2-oxocyclohexyl)-4-(trifluoromethyl)benzamide
SMILESO=C(NC1CCCCC1=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H14F3NO2/c15-14(16,17)10-7-5-9(6-8-10)13(20)18-11-3-1-2-4-12(11)19/h5-8,11H,1-4H2,(H,18,20)
InChIKeyCYMMPZNFPIPZKE-UHFFFAOYSA-N
MW285.26 g/mol
LogP2.95
Rot. Bonds2

About N-(2-oxocyclohexyl)-4-(trifluoromethyl)benzamide

N-(2-oxocyclohexyl)-4-(trifluoromethyl)benzamide (PubChem CID 67060770) has the molecular formula C14H14F3NO2 and a molecular weight of 285.26 g/mol. Its IUPAC name is N-(2-oxocyclohexyl)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(2-oxocyclohexyl)-4-(trifluoromethyl)benzamide
PubChem CID67060770
Molecular FormulaC14H14F3NO2
Molecular Weight285.26 g/mol
Exact Mass285.10
IUPAC NameN-(2-oxocyclohexyl)-4-(trifluoromethyl)benzamide
SMILESO=C(NC1CCCCC1=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H14F3NO2/c15-14(16,17)10-7-5-9(6-8-10)13(20)18-11-3-1-2-4-12(11)19/h5-8,11H,1-4H2,(H,18,20)
InChIKeyCYMMPZNFPIPZKE-UHFFFAOYSA-N
XLogP2.95
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.26
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromocyclohexyl)-4-(trifluoromethyl)benzamide
CID 114312028
4-methyl-N-[(2-oxocyclohexyl)carbamothioyl]benzamide
CID 11358251
N-cyclohex-2-en-1-yl-4-(trifluoromethyl)benzamide
CID 86228367
N-[2-(dimethylamino)cyclohexyl]-4-(trifluoromethyl)benzamide
CID 23349714
N-[2-(bromomethyl)cyclohexyl]-4-(trifluoromethyl)benzamide
CID 106367297
4-methyl-N-(2-oxocyclopentyl)benzamide;4-nitro-N-(2-oxocyclopentyl)benzamide
CID 123420478
4-(trifluoromethyl)-N-[5-[[4-(trifluoromethyl)benzoyl]amino]-2-bicyclo[2.2.1]heptanyl]benzamide
CID 155257067
4-decoxy-N-[(1R)-2-oxocyclopentyl]benzamide
CID 58413561
N-[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-4-(trifluoromethyl)benzamide
CID 126780268
N-(1,1-dioxothiolan-3-yl)-4-(trifluoromethyl)benzamide
CID 17475086
N-(2-oxoazepan-3-yl)-4-(trifluoromethylsulfonyl)benzamide
CID 55809279
cyclopentyl 4-(trifluoromethyl)benzoate
CID 599230

Frequently Asked Questions

What is the IUPAC name of N-(2-oxocyclohexyl)-4-(trifluoromethyl)benzamide?
The IUPAC name of N-(2-oxocyclohexyl)-4-(trifluoromethyl)benzamide (CID 67060770) is N-(2-oxocyclohexyl)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(2-oxocyclohexyl)-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-(2-oxocyclohexyl)-4-(trifluoromethyl)benzamide is O=C(NC1CCCCC1=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(2-oxocyclohexyl)-4-(trifluoromethyl)benzamide?
The InChIKey is CYMMPZNFPIPZKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3NO2/c15-14(16,17)10-7-5-9(6-8-10)13(20)18-11-3-1-2-4-12(11)19/h5-8,11H,1-4H2,(H,18,20).
What are the key properties of N-(2-oxocyclohexyl)-4-(trifluoromethyl)benzamide?
N-(2-oxocyclohexyl)-4-(trifluoromethyl)benzamide has a molecular weight of 285.26 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxocyclohexyl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 67060770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).