N-(4-amino-2,2-dimethylbutyl)-2,4,6-trifluorobenzamide

C13H17F3N2O — CID 106139555

IUPACN-(4-amino-2,2-dimethylbutyl)-2,4,6-trifluorobenzamide
SMILESCC(C)(CCN)CNC(=O)c1c(F)cc(F)cc1F
InChIInChI=1S/C13H17F3N2O/c1-13(2,3-4-17)7-18-12(19)11-9(15)5-8(14)6-10(11)16/h5-6H,3-4,7,17H2,1-2H3,(H,18,19)
InChIKeyJBZSKWMFECKLMD-UHFFFAOYSA-N
MW274.29 g/mol
LogP2.21
Rot. Bonds5

About N-(4-amino-2,2-dimethylbutyl)-2,4,6-trifluorobenzamide

N-(4-amino-2,2-dimethylbutyl)-2,4,6-trifluorobenzamide (PubChem CID 106139555) has the molecular formula C13H17F3N2O and a molecular weight of 274.29 g/mol. Its IUPAC name is N-(4-amino-2,2-dimethylbutyl)-2,4,6-trifluorobenzamide.

Molecular Properties

Compound NameN-(4-amino-2,2-dimethylbutyl)-2,4,6-trifluorobenzamide
PubChem CID106139555
Molecular FormulaC13H17F3N2O
Molecular Weight274.29 g/mol
Exact Mass274.13
IUPAC NameN-(4-amino-2,2-dimethylbutyl)-2,4,6-trifluorobenzamide
SMILESCC(C)(CCN)CNC(=O)c1c(F)cc(F)cc1F
InChIInChI=1S/C13H17F3N2O/c1-13(2,3-4-17)7-18-12(19)11-9(15)5-8(14)6-10(11)16/h5-6H,3-4,7,17H2,1-2H3,(H,18,19)
InChIKeyJBZSKWMFECKLMD-UHFFFAOYSA-N
XLogP2.21
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-amino-2,2-dimethylbutyl)-3,4,5-trifluorobenzamide
CID 106139619
N-(4-amino-2,2-dimethylbutyl)-2,5-difluorobenzamide
CID 106139692
2-amino-4,6-difluoro-N-(2-hydroxy-2-methylpropyl)benzamide
CID 70098730
4-bromo-N-(5-bromo-2,2-dimethylpentyl)-2,6-difluorobenzamide
CID 106145101
N-[2-ethyl-2-(hydroxymethyl)butyl]-2,4,6-trifluorobenzamide
CID 103843286
N-(4-amino-2,2-dimethylbutyl)-2,4,5-trifluoro-3-hydroxybenzamide
CID 106140043
N-(4-amino-2,2-dimethylbutyl)-3,5-dihydroxybenzamide
CID 114148875
N-(5-amino-2,2-dimethylpentyl)-2-(2,4-difluorophenyl)acetamide
CID 106140618
2,4,6-trifluoro-N-propylbenzamide
CID 65100176
2,4,6-trifluoro-N-(2-oxopropyl)benzamide
CID 65098730
N-(5-amino-2,2-dimethylpentyl)-4-fluoro-2-methylbenzamide
CID 106140917
2,4,6-trifluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
CID 65100569

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2,2-dimethylbutyl)-2,4,6-trifluorobenzamide?
The IUPAC name of N-(4-amino-2,2-dimethylbutyl)-2,4,6-trifluorobenzamide (CID 106139555) is N-(4-amino-2,2-dimethylbutyl)-2,4,6-trifluorobenzamide.
What is the SMILES notation for N-(4-amino-2,2-dimethylbutyl)-2,4,6-trifluorobenzamide?
The canonical SMILES for N-(4-amino-2,2-dimethylbutyl)-2,4,6-trifluorobenzamide is CC(C)(CCN)CNC(=O)c1c(F)cc(F)cc1F.
What is the InChIKey of N-(4-amino-2,2-dimethylbutyl)-2,4,6-trifluorobenzamide?
The InChIKey is JBZSKWMFECKLMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O/c1-13(2,3-4-17)7-18-12(19)11-9(15)5-8(14)6-10(11)16/h5-6H,3-4,7,17H2,1-2H3,(H,18,19).
What are the key properties of N-(4-amino-2,2-dimethylbutyl)-2,4,6-trifluorobenzamide?
N-(4-amino-2,2-dimethylbutyl)-2,4,6-trifluorobenzamide has a molecular weight of 274.29 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2,2-dimethylbutyl)-2,4,6-trifluorobenzamide is sourced from PubChem (CID 106139555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).