N-[(2R)-pentan-2-yl]-2-(trifluoromethyl)benzamide

C13H16F3NO — CID 92850424

IUPACN-[(2R)-pentan-2-yl]-2-(trifluoromethyl)benzamide
SMILESCCC[C@@H](C)NC(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C13H16F3NO/c1-3-6-9(2)17-12(18)10-7-4-5-8-11(10)13(14,15)16/h4-5,7-9H,3,6H2,1-2H3,(H,17,18)/t9-/m1/s1
InChIKeySUVGEWIHVLGSBW-SECBINFHSA-N
MW259.27 g/mol
LogP3.62
Rot. Bonds4

About N-[(2R)-pentan-2-yl]-2-(trifluoromethyl)benzamide

N-[(2R)-pentan-2-yl]-2-(trifluoromethyl)benzamide (PubChem CID 92850424) has the molecular formula C13H16F3NO and a molecular weight of 259.27 g/mol. Its IUPAC name is N-[(2R)-pentan-2-yl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[(2R)-pentan-2-yl]-2-(trifluoromethyl)benzamide
PubChem CID92850424
Molecular FormulaC13H16F3NO
Molecular Weight259.27 g/mol
Exact Mass259.12
IUPAC NameN-[(2R)-pentan-2-yl]-2-(trifluoromethyl)benzamide
SMILESCCC[C@@H](C)NC(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C13H16F3NO/c1-3-6-9(2)17-12(18)10-7-4-5-8-11(10)13(14,15)16/h4-5,7-9H,3,6H2,1-2H3,(H,17,18)/t9-/m1/s1
InChIKeySUVGEWIHVLGSBW-SECBINFHSA-N
XLogP3.62
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4R)-4-[[2-(trifluoromethyl)benzoyl]amino]pentanoic acid
CID 95359045
N-(1-aminopentan-3-yl)-2-(trifluoromethyl)benzamide
CID 62651047
N-butan-2-yl-2-fluoro-3-(trifluoromethyl)benzamide
CID 79885795
(2R)-3-methyl-2-[[2-(trifluoromethyl)benzoyl]amino]butanoic acid
CID 30048340
3-hydroxy-2-[[2-(trifluoromethyl)benzoyl]amino]butanoic acid
CID 16776421
N-(1-methoxybutan-2-yl)-2-(trifluoromethyl)benzamide
CID 3613944
N-[(2S)-1-(1-benzofuran-2-yl)propan-2-yl]-2-(trifluoromethyl)benzamide
CID 124759381
N-methyl-2-(trifluoromethyl)benzamide
CID 4216112
2-ethoxy-N-[(2R)-pentan-2-yl]benzamide
CID 1234495
N-(1-thiophen-2-ylethyl)-2-(trifluoromethyl)benzamide
CID 17475338
N-[4-(dimethylamino)butan-2-yl]-2-fluoro-3-(trifluoromethyl)benzamide
CID 71976318
N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-2-(trifluoromethyl)benzamide
CID 103716638

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-pentan-2-yl]-2-(trifluoromethyl)benzamide?
The IUPAC name of N-[(2R)-pentan-2-yl]-2-(trifluoromethyl)benzamide (CID 92850424) is N-[(2R)-pentan-2-yl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[(2R)-pentan-2-yl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-[(2R)-pentan-2-yl]-2-(trifluoromethyl)benzamide is CCC[C@@H](C)NC(=O)c1ccccc1C(F)(F)F.
What is the InChIKey of N-[(2R)-pentan-2-yl]-2-(trifluoromethyl)benzamide?
The InChIKey is SUVGEWIHVLGSBW-SECBINFHSA-N. The full InChI is InChI=1S/C13H16F3NO/c1-3-6-9(2)17-12(18)10-7-4-5-8-11(10)13(14,15)16/h4-5,7-9H,3,6H2,1-2H3,(H,17,18)/t9-/m1/s1.
What are the key properties of N-[(2R)-pentan-2-yl]-2-(trifluoromethyl)benzamide?
N-[(2R)-pentan-2-yl]-2-(trifluoromethyl)benzamide has a molecular weight of 259.27 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-pentan-2-yl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 92850424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).