N-[(2R)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]benzamide

C13H16F3NO — CID 101120746

IUPACN-[(2R)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]benzamide
SMILESCC(C)(C)[C@@H](NC(=O)c1ccccc1)C(F)(F)F
InChIInChI=1S/C13H16F3NO/c1-12(2,3)11(13(14,15)16)17-10(18)9-7-5-4-6-8-9/h4-8,11H,1-3H3,(H,17,18)/t11-/m1/s1
InChIKeyWGNMGBNCNDJJJP-LLVKDONJSA-N
MW259.27 g/mol
LogP3.39
Rot. Bonds2

About N-[(2R)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]benzamide

N-[(2R)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]benzamide (PubChem CID 101120746) has the molecular formula C13H16F3NO and a molecular weight of 259.27 g/mol. Its IUPAC name is N-[(2R)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]benzamide.

Molecular Properties

Compound NameN-[(2R)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]benzamide
PubChem CID101120746
Molecular FormulaC13H16F3NO
Molecular Weight259.27 g/mol
Exact Mass259.12
IUPAC NameN-[(2R)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]benzamide
SMILESCC(C)(C)[C@@H](NC(=O)c1ccccc1)C(F)(F)F
InChIInChI=1S/C13H16F3NO/c1-12(2,3)11(13(14,15)16)17-10(18)9-7-5-4-6-8-9/h4-8,11H,1-3H3,(H,17,18)/t11-/m1/s1
InChIKeyWGNMGBNCNDJJJP-LLVKDONJSA-N
XLogP3.39
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[(2R)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,1,1,3,3,3-hexafluoropropan-2-yl (2S)-2-benzamido-3,3-dimethylbutanoate
CID 132837205
(2R,3R)-3-benzamido-4,4,4-trifluoro-2-methyl-2-triethylsilyloxybutanoic acid
CID 68945008
N-[(1R)-2,2-dimethyl-1-phenylpropyl]benzamide
CID 51940794
N-(1-amino-2,2-dimethylpropyl)benzamide;hydrochloride
CID 18770587
3-benzamido-4,4,4-trifluorobutanoic acid
CID 3487458
methyl 3-benzamido-4,4,4-trifluoro-2-hydroxybutanoate
CID 12042653
N-[(2S)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 95905642
N-(1-(18F)fluoropropan-2-yl)(18F)benzamide
CID 177440113
N-(3,3-dimethyl-4-oxobutan-2-yl)benzamide
CID 59051843
diethyl (2R,4S)-2-benzamido-4-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]pentanedioate
CID 51669902
2,2-dibenzamidoacetic acid
CID 12521150
(2S,5R)-2-benzamido-6,6,6-trifluoro-5-hydroxyhexanoic acid
CID 25323944

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]benzamide?
The IUPAC name of N-[(2R)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]benzamide (CID 101120746) is N-[(2R)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]benzamide.
What is the SMILES notation for N-[(2R)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]benzamide?
The canonical SMILES for N-[(2R)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]benzamide is CC(C)(C)[C@@H](NC(=O)c1ccccc1)C(F)(F)F.
What is the InChIKey of N-[(2R)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]benzamide?
The InChIKey is WGNMGBNCNDJJJP-LLVKDONJSA-N. The full InChI is InChI=1S/C13H16F3NO/c1-12(2,3)11(13(14,15)16)17-10(18)9-7-5-4-6-8-9/h4-8,11H,1-3H3,(H,17,18)/t11-/m1/s1.
What are the key properties of N-[(2R)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]benzamide?
N-[(2R)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]benzamide has a molecular weight of 259.27 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]benzamide is sourced from PubChem (CID 101120746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).