N-(1-amino-2,4-dimethylpentan-2-yl)-2-fluoro-3-(trifluoromethyl)benzamide

C15H20F4N2O — CID 119599272

IUPACN-(1-amino-2,4-dimethylpentan-2-yl)-2-fluoro-3-(trifluoromethyl)benzamide
SMILESCC(C)CC(C)(CN)NC(=O)c1cccc(C(F)(F)F)c1F
InChIInChI=1S/C15H20F4N2O/c1-9(2)7-14(3,8-20)21-13(22)10-5-4-6-11(12(10)16)15(17,18)19/h4-6,9H,7-8,20H2,1-3H3,(H,21,22)
InChIKeyJNTQNTADYSZIQI-UHFFFAOYSA-N
MW320.33 g/mol
LogP3.34
Rot. Bonds5

About N-(1-amino-2,4-dimethylpentan-2-yl)-2-fluoro-3-(trifluoromethyl)benzamide

N-(1-amino-2,4-dimethylpentan-2-yl)-2-fluoro-3-(trifluoromethyl)benzamide (PubChem CID 119599272) has the molecular formula C15H20F4N2O and a molecular weight of 320.33 g/mol. Its IUPAC name is N-(1-amino-2,4-dimethylpentan-2-yl)-2-fluoro-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(1-amino-2,4-dimethylpentan-2-yl)-2-fluoro-3-(trifluoromethyl)benzamide
PubChem CID119599272
Molecular FormulaC15H20F4N2O
Molecular Weight320.33 g/mol
Exact Mass320.15
IUPAC NameN-(1-amino-2,4-dimethylpentan-2-yl)-2-fluoro-3-(trifluoromethyl)benzamide
SMILESCC(C)CC(C)(CN)NC(=O)c1cccc(C(F)(F)F)c1F
InChIInChI=1S/C15H20F4N2O/c1-9(2)7-14(3,8-20)21-13(22)10-5-4-6-11(12(10)16)15(17,18)19/h4-6,9H,7-8,20H2,1-3H3,(H,21,22)
InChIKeyJNTQNTADYSZIQI-UHFFFAOYSA-N
XLogP3.34
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.33
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-amino-2,4-dimethylpentan-2-yl)-2-methylbenzamide
CID 81487529
N-(1-amino-2,4-dimethylpentan-2-yl)-3-bromo-2-methylbenzamide
CID 81485460
N-(1-amino-2,4-dimethylpentan-2-yl)-2,4,5-trifluoro-3-hydroxybenzamide
CID 115309822
2-fluoro-N-[(2-methylpropan-2-yl)oxy]-3-(trifluoromethyl)benzamide
CID 82723802
N-(1-amino-2,4-dimethylpentan-2-yl)-2-(difluoromethoxy)benzamide
CID 115309796
2-fluoro-N-(2-methylbut-3-yn-2-yl)-3-(trifluoromethyl)benzamide
CID 79885632
N-(1-amino-2,4-dimethylpentan-2-yl)-2-bromo-4-fluorobenzamide
CID 81486385
N-butan-2-yl-2-fluoro-3-(trifluoromethyl)benzamide
CID 79885795
N-(1-amino-2,4-dimethylpentan-2-yl)-4-fluorobenzamide;hydrochloride
CID 119599305
N-(1-amino-2,4-dimethylpentan-2-yl)-2-chloro-4-fluorobenzamide;hydrochloride
CID 119600052
N-(1-amino-2,4-dimethylpentan-2-yl)-4,5-difluoro-2-iodobenzamide;hydrochloride
CID 119598136
N-(1-amino-2,4-dimethylpentan-2-yl)-2,5-dihydroxybenzamide
CID 107725269

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-2-fluoro-3-(trifluoromethyl)benzamide?
The IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-2-fluoro-3-(trifluoromethyl)benzamide (CID 119599272) is N-(1-amino-2,4-dimethylpentan-2-yl)-2-fluoro-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(1-amino-2,4-dimethylpentan-2-yl)-2-fluoro-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-(1-amino-2,4-dimethylpentan-2-yl)-2-fluoro-3-(trifluoromethyl)benzamide is CC(C)CC(C)(CN)NC(=O)c1cccc(C(F)(F)F)c1F.
What is the InChIKey of N-(1-amino-2,4-dimethylpentan-2-yl)-2-fluoro-3-(trifluoromethyl)benzamide?
The InChIKey is JNTQNTADYSZIQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F4N2O/c1-9(2)7-14(3,8-20)21-13(22)10-5-4-6-11(12(10)16)15(17,18)19/h4-6,9H,7-8,20H2,1-3H3,(H,21,22).
What are the key properties of N-(1-amino-2,4-dimethylpentan-2-yl)-2-fluoro-3-(trifluoromethyl)benzamide?
N-(1-amino-2,4-dimethylpentan-2-yl)-2-fluoro-3-(trifluoromethyl)benzamide has a molecular weight of 320.33 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,4-dimethylpentan-2-yl)-2-fluoro-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 119599272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).