2-methyl-2-phenyl-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide

C13H16F3NO2 — CID 103730656

IUPAC2-methyl-2-phenyl-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide
SMILESCC(C)(C(=O)NCC(O)C(F)(F)F)c1ccccc1
InChIInChI=1S/C13H16F3NO2/c1-12(2,9-6-4-3-5-7-9)11(19)17-8-10(18)13(14,15)16/h3-7,10,18H,8H2,1-2H3,(H,17,19)
InChIKeyTVEGFFINZNWKRC-UHFFFAOYSA-N
MW275.27 g/mol
LogP2.00
Rot. Bonds4

About 2-methyl-2-phenyl-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide

2-methyl-2-phenyl-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide (PubChem CID 103730656) has the molecular formula C13H16F3NO2 and a molecular weight of 275.27 g/mol. Its IUPAC name is 2-methyl-2-phenyl-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide.

Molecular Properties

Compound Name2-methyl-2-phenyl-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide
PubChem CID103730656
Molecular FormulaC13H16F3NO2
Molecular Weight275.27 g/mol
Exact Mass275.11
IUPAC Name2-methyl-2-phenyl-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide
SMILESCC(C)(C(=O)NCC(O)C(F)(F)F)c1ccccc1
InChIInChI=1S/C13H16F3NO2/c1-12(2,9-6-4-3-5-7-9)11(19)17-8-10(18)13(14,15)16/h3-7,10,18H,8H2,1-2H3,(H,17,19)
InChIKeyTVEGFFINZNWKRC-UHFFFAOYSA-N
XLogP2.00
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-Hydroxyethyl)-alpha-methyl-4-(2-methylpropyl)benzeneacetamide
CID 71261
2-(4-fluorophenyl)-N-(3-isopropoxypropyl)acetamide
CID 2228387
(2R)-N-[4-(2-fluorophenyl)-3-oxobutyl]-2,4-dihydroxy-3,3-dimethylbutanamide
CID 168272944
(2R)-N-[4-(4-fluorophenyl)-3-oxobutyl]-2,4-dihydroxy-3,3-dimethylbutanamide
CID 168273754
(2R)-N-[4-(3-fluorophenyl)-3-oxobutyl]-2,4-dihydroxy-3,3-dimethylbutanamide
CID 168277929
2-Hydroxy-n-(2-phenylethyl)propanamide
CID 223430
N-ethyl-1-phenylcyclopentanecarboxamide
CID 778764
2-(4-fluorophenyl)-N-(2-methoxyethyl)acetamide
CID 2163005
(R,5Z,8Z,11Z,14Z)-N-(1-hydroxypropan-2-yl)-19-(3-(trifluoromethyl)phenyl)nonadeca-5,8,11,14-tetraenamide
CID 44563709
N-(2-hydroxyethyl)-2-methyl-3-phenylpropanamide
CID 5459522
N-(2-hydroxyethyl)-2-phenylacetamide
CID 80449
E-5050
CID 129506

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-phenyl-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide?
The IUPAC name of 2-methyl-2-phenyl-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide (CID 103730656) is 2-methyl-2-phenyl-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide.
What is the SMILES notation for 2-methyl-2-phenyl-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide?
The canonical SMILES for 2-methyl-2-phenyl-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide is CC(C)(C(=O)NCC(O)C(F)(F)F)c1ccccc1.
What is the InChIKey of 2-methyl-2-phenyl-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide?
The InChIKey is TVEGFFINZNWKRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO2/c1-12(2,9-6-4-3-5-7-9)11(19)17-8-10(18)13(14,15)16/h3-7,10,18H,8H2,1-2H3,(H,17,19).
What are the key properties of 2-methyl-2-phenyl-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide?
2-methyl-2-phenyl-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide has a molecular weight of 275.27 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-phenyl-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide is sourced from PubChem (CID 103730656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).