N-(2-acetylphenyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide

C12H12F3NO3 — CID 22287173

IUPACN-(2-acetylphenyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
SMILESCC(=O)c1ccccc1NC(=O)C(C)(O)C(F)(F)F
InChIInChI=1S/C12H12F3NO3/c1-7(17)8-5-3-4-6-9(8)16-10(18)11(2,19)12(13,14)15/h3-6,19H,1-2H3,(H,16,18)
InChIKeySMXNIGNRSAIKMW-UHFFFAOYSA-N
MW275.23 g/mol
LogP2.14
Rot. Bonds3

About N-(2-acetylphenyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide

N-(2-acetylphenyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide (PubChem CID 22287173) has the molecular formula C12H12F3NO3 and a molecular weight of 275.23 g/mol. Its IUPAC name is N-(2-acetylphenyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide.

Molecular Properties

Compound NameN-(2-acetylphenyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
PubChem CID22287173
Molecular FormulaC12H12F3NO3
Molecular Weight275.23 g/mol
Exact Mass275.08
IUPAC NameN-(2-acetylphenyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
SMILESCC(=O)c1ccccc1NC(=O)C(C)(O)C(F)(F)F
InChIInChI=1S/C12H12F3NO3/c1-7(17)8-5-3-4-6-9(8)16-10(18)11(2,19)12(13,14)15/h3-6,19H,1-2H3,(H,16,18)
InChIKeySMXNIGNRSAIKMW-UHFFFAOYSA-N
XLogP2.14
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.23
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-acetylphenyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide?
The IUPAC name of N-(2-acetylphenyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide (CID 22287173) is N-(2-acetylphenyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide.
What is the SMILES notation for N-(2-acetylphenyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide?
The canonical SMILES for N-(2-acetylphenyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide is CC(=O)c1ccccc1NC(=O)C(C)(O)C(F)(F)F.
What is the InChIKey of N-(2-acetylphenyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide?
The InChIKey is SMXNIGNRSAIKMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3NO3/c1-7(17)8-5-3-4-6-9(8)16-10(18)11(2,19)12(13,14)15/h3-6,19H,1-2H3,(H,16,18).
What are the key properties of N-(2-acetylphenyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide?
N-(2-acetylphenyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide has a molecular weight of 275.23 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetylphenyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide is sourced from PubChem (CID 22287173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).