N-(4-methylpentan-2-yl)-4-(trifluoromethyl)benzamide

C14H18F3NO — CID 4316804

IUPACN-(4-methylpentan-2-yl)-4-(trifluoromethyl)benzamide
SMILESCC(C)CC(C)NC(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H18F3NO/c1-9(2)8-10(3)18-13(19)11-4-6-12(7-5-11)14(15,16)17/h4-7,9-10H,8H2,1-3H3,(H,18,19)
InChIKeyTXXJXDBUTOLODT-UHFFFAOYSA-N
MW273.30 g/mol
LogP3.87
Rot. Bonds4

About N-(4-methylpentan-2-yl)-4-(trifluoromethyl)benzamide

N-(4-methylpentan-2-yl)-4-(trifluoromethyl)benzamide (PubChem CID 4316804) has the molecular formula C14H18F3NO and a molecular weight of 273.30 g/mol. Its IUPAC name is N-(4-methylpentan-2-yl)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(4-methylpentan-2-yl)-4-(trifluoromethyl)benzamide
PubChem CID4316804
Molecular FormulaC14H18F3NO
Molecular Weight273.30 g/mol
Exact Mass273.13
IUPAC NameN-(4-methylpentan-2-yl)-4-(trifluoromethyl)benzamide
SMILESCC(C)CC(C)NC(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H18F3NO/c1-9(2)8-10(3)18-13(19)11-4-6-12(7-5-11)14(15,16)17/h4-7,9-10H,8H2,1-3H3,(H,18,19)
InChIKeyTXXJXDBUTOLODT-UHFFFAOYSA-N
XLogP3.87
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Procarbazine
CID 4915
Procarbazine Hydrochloride
CID 9703
N-Methylbenzamide
CID 11954
Melinamide
CID 20054967
Amylase
CID 71475145
N-Propylbenzamide
CID 25354
N-Ethylbenzamide
CID 11959
N,N-Diethyl-p-toluamide
CID 75946
N-Butylbenzamide
CID 76024
N-Benzoylbenzylamine
CID 73878
4-methyl-N-(2-phenylethyl)benzamide
CID 723105
4-Formyl-N-(1-methylethyl)benzamide
CID 83270

Frequently Asked Questions

What is the IUPAC name of N-(4-methylpentan-2-yl)-4-(trifluoromethyl)benzamide?
The IUPAC name of N-(4-methylpentan-2-yl)-4-(trifluoromethyl)benzamide (CID 4316804) is N-(4-methylpentan-2-yl)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(4-methylpentan-2-yl)-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-(4-methylpentan-2-yl)-4-(trifluoromethyl)benzamide is CC(C)CC(C)NC(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(4-methylpentan-2-yl)-4-(trifluoromethyl)benzamide?
The InChIKey is TXXJXDBUTOLODT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO/c1-9(2)8-10(3)18-13(19)11-4-6-12(7-5-11)14(15,16)17/h4-7,9-10H,8H2,1-3H3,(H,18,19).
What are the key properties of N-(4-methylpentan-2-yl)-4-(trifluoromethyl)benzamide?
N-(4-methylpentan-2-yl)-4-(trifluoromethyl)benzamide has a molecular weight of 273.30 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylpentan-2-yl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 4316804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).