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

C14H12F3NO2 — CID 134387045

IUPACN-(3-oxocyclohexen-1-yl)-4-(trifluoromethyl)benzamide
SMILESO=C1C=C(NC(=O)c2ccc(C(F)(F)F)cc2)CCC1
InChIInChI=1S/C14H12F3NO2/c15-14(16,17)10-6-4-9(5-7-10)13(20)18-11-2-1-3-12(19)8-11/h4-8H,1-3H2,(H,18,20)
InChIKeyWESVVWOYNKERGJ-UHFFFAOYSA-N
MW283.25 g/mol
LogP3.07
Rot. Bonds2

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

N-(3-oxocyclohexen-1-yl)-4-(trifluoromethyl)benzamide (PubChem CID 134387045) has the molecular formula C14H12F3NO2 and a molecular weight of 283.25 g/mol. Its IUPAC name is N-(3-oxocyclohexen-1-yl)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(3-oxocyclohexen-1-yl)-4-(trifluoromethyl)benzamide
PubChem CID134387045
Molecular FormulaC14H12F3NO2
Molecular Weight283.25 g/mol
Exact Mass283.08
IUPAC NameN-(3-oxocyclohexen-1-yl)-4-(trifluoromethyl)benzamide
SMILESO=C1C=C(NC(=O)c2ccc(C(F)(F)F)cc2)CCC1
InChIInChI=1S/C14H12F3NO2/c15-14(16,17)10-6-4-9(5-7-10)13(20)18-11-2-1-3-12(19)8-11/h4-8H,1-3H2,(H,18,20)
InChIKeyWESVVWOYNKERGJ-UHFFFAOYSA-N
XLogP3.07
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.25
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-oxocyclohexen-1-yl)-4-(trifluoromethyl)benzamide?
The IUPAC name of N-(3-oxocyclohexen-1-yl)-4-(trifluoromethyl)benzamide (CID 134387045) is N-(3-oxocyclohexen-1-yl)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(3-oxocyclohexen-1-yl)-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-(3-oxocyclohexen-1-yl)-4-(trifluoromethyl)benzamide is O=C1C=C(NC(=O)c2ccc(C(F)(F)F)cc2)CCC1.
What is the InChIKey of N-(3-oxocyclohexen-1-yl)-4-(trifluoromethyl)benzamide?
The InChIKey is WESVVWOYNKERGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NO2/c15-14(16,17)10-6-4-9(5-7-10)13(20)18-11-2-1-3-12(19)8-11/h4-8H,1-3H2,(H,18,20).
What are the key properties of N-(3-oxocyclohexen-1-yl)-4-(trifluoromethyl)benzamide?
N-(3-oxocyclohexen-1-yl)-4-(trifluoromethyl)benzamide has a molecular weight of 283.25 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-oxocyclohexen-1-yl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 134387045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).