2-acetyl-N-ethyl-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)benzamide

C15H18F3NO3 — CID 91080791

IUPAC2-acetyl-N-ethyl-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)benzamide
SMILESCCN(CC(C)(O)C(F)(F)F)C(=O)c1ccccc1C(C)=O
InChIInChI=1S/C15H18F3NO3/c1-4-19(9-14(3,22)15(16,17)18)13(21)12-8-6-5-7-11(12)10(2)20/h5-8,22H,4,9H2,1-3H3
InChIKeyYIFYVUFHIANYSH-UHFFFAOYSA-N
MW317.31 g/mol
LogP2.66
Rot. Bonds5

About 2-acetyl-N-ethyl-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)benzamide

2-acetyl-N-ethyl-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)benzamide (PubChem CID 91080791) has the molecular formula C15H18F3NO3 and a molecular weight of 317.31 g/mol. Its IUPAC name is 2-acetyl-N-ethyl-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)benzamide.

Molecular Properties

Compound Name2-acetyl-N-ethyl-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)benzamide
PubChem CID91080791
Molecular FormulaC15H18F3NO3
Molecular Weight317.31 g/mol
Exact Mass317.12
IUPAC Name2-acetyl-N-ethyl-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)benzamide
SMILESCCN(CC(C)(O)C(F)(F)F)C(=O)c1ccccc1C(C)=O
InChIInChI=1S/C15H18F3NO3/c1-4-19(9-14(3,22)15(16,17)18)13(21)12-8-6-5-7-11(12)10(2)20/h5-8,22H,4,9H2,1-3H3
InChIKeyYIFYVUFHIANYSH-UHFFFAOYSA-N
XLogP2.66
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.31
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 78865711
N-benzyl-2,2,2-trifluoro-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)acetamide
CID 102119023
N-ethyl-2-ethylsulfonyl-N-(2-hydroxy-2-methylpropyl)benzamide
CID 79377923
N,N-diethyl-2-(trifluoromethylsulfanyl)benzamide
CID 60753360
1-[2-[ethyl-(2-hydroxy-2-methylpropyl)amino]phenyl]ethanone
CID 79387122
potassium 2-(diethylcarbamoyl)benzoate
CID 135085837
N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-(thiophene-2-carbonyl)benzamide
CID 111596646
N-[2-[[(2-acetylbenzoyl)-ethylamino]methyl]-3,3,3-trifluoro-2-hydroxypropyl]-5-amino-1-(4-fluorophenyl)-4H-pyrazol-1-ium-4-carboxamide
CID 59187222
N-ethyl-3-hydroxy-N-(2-hydroxy-2-methylpropyl)-2-methylbenzamide
CID 82829511
N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-(propan-2-ylamino)benzamide
CID 79378834
1-(2-acetylphenyl)ethanone;methane
CID 158210616
CID 59369605
CID 59369605

Frequently Asked Questions

What is the IUPAC name of 2-acetyl-N-ethyl-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)benzamide?
The IUPAC name of 2-acetyl-N-ethyl-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)benzamide (CID 91080791) is 2-acetyl-N-ethyl-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)benzamide.
What is the SMILES notation for 2-acetyl-N-ethyl-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)benzamide?
The canonical SMILES for 2-acetyl-N-ethyl-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)benzamide is CCN(CC(C)(O)C(F)(F)F)C(=O)c1ccccc1C(C)=O.
What is the InChIKey of 2-acetyl-N-ethyl-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)benzamide?
The InChIKey is YIFYVUFHIANYSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3NO3/c1-4-19(9-14(3,22)15(16,17)18)13(21)12-8-6-5-7-11(12)10(2)20/h5-8,22H,4,9H2,1-3H3.
What are the key properties of 2-acetyl-N-ethyl-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)benzamide?
2-acetyl-N-ethyl-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)benzamide has a molecular weight of 317.31 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyl-N-ethyl-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)benzamide is sourced from PubChem (CID 91080791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).