2-amino-3,3,3-trifluoro-N-[2-(1-hydroxyethyl)phenyl]-2-methylpropanamide

C12H15F3N2O2 — CID 79805032

IUPAC2-amino-3,3,3-trifluoro-N-[2-(1-hydroxyethyl)phenyl]-2-methylpropanamide
SMILESCC(O)c1ccccc1NC(=O)C(C)(N)C(F)(F)F
InChIInChI=1S/C12H15F3N2O2/c1-7(18)8-5-3-4-6-9(8)17-10(19)11(2,16)12(13,14)15/h3-7,18H,16H2,1-2H3,(H,17,19)
InChIKeyXBPKQRFQHPWVGF-UHFFFAOYSA-N
MW276.26 g/mol
LogP1.96
Rot. Bonds3

About 2-amino-3,3,3-trifluoro-N-[2-(1-hydroxyethyl)phenyl]-2-methylpropanamide

2-amino-3,3,3-trifluoro-N-[2-(1-hydroxyethyl)phenyl]-2-methylpropanamide (PubChem CID 79805032) has the molecular formula C12H15F3N2O2 and a molecular weight of 276.26 g/mol. Its IUPAC name is 2-amino-3,3,3-trifluoro-N-[2-(1-hydroxyethyl)phenyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-amino-3,3,3-trifluoro-N-[2-(1-hydroxyethyl)phenyl]-2-methylpropanamide
PubChem CID79805032
Molecular FormulaC12H15F3N2O2
Molecular Weight276.26 g/mol
Exact Mass276.11
IUPAC Name2-amino-3,3,3-trifluoro-N-[2-(1-hydroxyethyl)phenyl]-2-methylpropanamide
SMILESCC(O)c1ccccc1NC(=O)C(C)(N)C(F)(F)F
InChIInChI=1S/C12H15F3N2O2/c1-7(18)8-5-3-4-6-9(8)17-10(19)11(2,16)12(13,14)15/h3-7,18H,16H2,1-2H3,(H,17,19)
InChIKeyXBPKQRFQHPWVGF-UHFFFAOYSA-N
XLogP1.96
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-ethyl-N-[2-(1-hydroxyethyl)phenyl]butanamide
CID 79813414
2-amino-N-(2-tert-butylphenyl)-3,3,3-trifluoro-2-methylpropanamide
CID 79797089
N-[2-(1-hydroxyethyl)phenyl]-2,2-dimethylbutanamide
CID 55103349
2-amino-3,3,3-trifluoro-2-methyl-N-[2-(methylsulfamoyl)phenyl]propanamide
CID 79789955
2-amino-3,3,3-trifluoro-N-(2-hydroxy-3-methylphenyl)-2-methylpropanamide
CID 79811044
2-amino-3,3,3-trifluoro-N-[2-(methoxymethyl)phenyl]-2-methylpropanamide
CID 79797184
2-amino-N-[(1S)-1-(2-bromophenyl)ethyl]-3,3,3-trifluoro-2-methylpropanamide
CID 81397684
2-amino-3,3,3-trifluoro-N-(2-methoxy-3-pyridinyl)-2-methylpropanamide
CID 79797297
N-[2-(1-bromoethyl)phenyl]-2,2-dimethylpropanamide
CID 114315470
2-amino-3,3,3-trifluoro-2-methyl-N-[2-(tetrazol-1-yl)phenyl]propanamide
CID 79789723
2-amino-N-(2,5-difluorophenyl)-3,3,3-trifluoro-2-methylpropanamide
CID 79790386
2-amino-2-methyl-N-(2-propan-2-ylphenyl)pentanamide
CID 60849102

Frequently Asked Questions

What is the IUPAC name of 2-amino-3,3,3-trifluoro-N-[2-(1-hydroxyethyl)phenyl]-2-methylpropanamide?
The IUPAC name of 2-amino-3,3,3-trifluoro-N-[2-(1-hydroxyethyl)phenyl]-2-methylpropanamide (CID 79805032) is 2-amino-3,3,3-trifluoro-N-[2-(1-hydroxyethyl)phenyl]-2-methylpropanamide.
What is the SMILES notation for 2-amino-3,3,3-trifluoro-N-[2-(1-hydroxyethyl)phenyl]-2-methylpropanamide?
The canonical SMILES for 2-amino-3,3,3-trifluoro-N-[2-(1-hydroxyethyl)phenyl]-2-methylpropanamide is CC(O)c1ccccc1NC(=O)C(C)(N)C(F)(F)F.
What is the InChIKey of 2-amino-3,3,3-trifluoro-N-[2-(1-hydroxyethyl)phenyl]-2-methylpropanamide?
The InChIKey is XBPKQRFQHPWVGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O2/c1-7(18)8-5-3-4-6-9(8)17-10(19)11(2,16)12(13,14)15/h3-7,18H,16H2,1-2H3,(H,17,19).
What are the key properties of 2-amino-3,3,3-trifluoro-N-[2-(1-hydroxyethyl)phenyl]-2-methylpropanamide?
2-amino-3,3,3-trifluoro-N-[2-(1-hydroxyethyl)phenyl]-2-methylpropanamide has a molecular weight of 276.26 g/mol, XLogP of 1.96, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,3,3-trifluoro-N-[2-(1-hydroxyethyl)phenyl]-2-methylpropanamide is sourced from PubChem (CID 79805032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).