2-amino-3,3,3-trifluoro-2-methyl-N-(1-phenylpropan-2-yl)propanamide

C13H17F3N2O — CID 79810676

IUPAC2-amino-3,3,3-trifluoro-2-methyl-N-(1-phenylpropan-2-yl)propanamide
SMILESCC(Cc1ccccc1)NC(=O)C(C)(N)C(F)(F)F
InChIInChI=1S/C13H17F3N2O/c1-9(8-10-6-4-3-5-7-10)18-11(19)12(2,17)13(14,15)16/h3-7,9H,8,17H2,1-2H3,(H,18,19)
InChIKeyWRIQMEDQHDEAOQ-UHFFFAOYSA-N
MW274.29 g/mol
LogP2.01
Rot. Bonds4

About 2-amino-3,3,3-trifluoro-2-methyl-N-(1-phenylpropan-2-yl)propanamide

2-amino-3,3,3-trifluoro-2-methyl-N-(1-phenylpropan-2-yl)propanamide (PubChem CID 79810676) has the molecular formula C13H17F3N2O and a molecular weight of 274.29 g/mol. Its IUPAC name is 2-amino-3,3,3-trifluoro-2-methyl-N-(1-phenylpropan-2-yl)propanamide.

Molecular Properties

Compound Name2-amino-3,3,3-trifluoro-2-methyl-N-(1-phenylpropan-2-yl)propanamide
PubChem CID79810676
Molecular FormulaC13H17F3N2O
Molecular Weight274.29 g/mol
Exact Mass274.13
IUPAC Name2-amino-3,3,3-trifluoro-2-methyl-N-(1-phenylpropan-2-yl)propanamide
SMILESCC(Cc1ccccc1)NC(=O)C(C)(N)C(F)(F)F
InChIInChI=1S/C13H17F3N2O/c1-9(8-10-6-4-3-5-7-10)18-11(19)12(2,17)13(14,15)16/h3-7,9H,8,17H2,1-2H3,(H,18,19)
InChIKeyWRIQMEDQHDEAOQ-UHFFFAOYSA-N
XLogP2.01
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-3,3,3-trifluoro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpropanamide
CID 107861005
2-amino-N-[1-(2-chlorophenyl)propan-2-yl]-3,3,3-trifluoro-2-methylpropanamide
CID 79796905
2-amino-2-phenyl-N-(1-phenylpropan-2-yl)propanamide
CID 63011622
2-bromo-2-methyl-N-(1-phenylpropan-2-yl)propanamide
CID 115649433
2-amino-3,3,3-trifluoro-N-[1-(2-methoxyphenyl)propan-2-yl]-2-methylpropanamide
CID 79792524
2-amino-2-phenyl-N-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]propanamide
CID 120589300
(2R)-2-amino-N-(1-phenylpropan-2-yl)propanamide
CID 78923419
N-[(2S)-1-phenylpropan-2-yl]propanamide
CID 102304952
methyl 2-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]-2-phenylacetate
CID 79793300
2-amino-N-[2-(benzylamino)-2-oxoethyl]-3,3,3-trifluoro-2-methylpropanamide
CID 79792967
3,3,3-trifluoro-2-hydroxy-N-[1-(3-hydroxyphenyl)propan-2-yl]-2-methylpropanamide
CID 171697825
2-amino-N-[(1S)-1-(2-bromophenyl)ethyl]-3,3,3-trifluoro-2-methylpropanamide
CID 81397684

Frequently Asked Questions

What is the IUPAC name of 2-amino-3,3,3-trifluoro-2-methyl-N-(1-phenylpropan-2-yl)propanamide?
The IUPAC name of 2-amino-3,3,3-trifluoro-2-methyl-N-(1-phenylpropan-2-yl)propanamide (CID 79810676) is 2-amino-3,3,3-trifluoro-2-methyl-N-(1-phenylpropan-2-yl)propanamide.
What is the SMILES notation for 2-amino-3,3,3-trifluoro-2-methyl-N-(1-phenylpropan-2-yl)propanamide?
The canonical SMILES for 2-amino-3,3,3-trifluoro-2-methyl-N-(1-phenylpropan-2-yl)propanamide is CC(Cc1ccccc1)NC(=O)C(C)(N)C(F)(F)F.
What is the InChIKey of 2-amino-3,3,3-trifluoro-2-methyl-N-(1-phenylpropan-2-yl)propanamide?
The InChIKey is WRIQMEDQHDEAOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O/c1-9(8-10-6-4-3-5-7-10)18-11(19)12(2,17)13(14,15)16/h3-7,9H,8,17H2,1-2H3,(H,18,19).
What are the key properties of 2-amino-3,3,3-trifluoro-2-methyl-N-(1-phenylpropan-2-yl)propanamide?
2-amino-3,3,3-trifluoro-2-methyl-N-(1-phenylpropan-2-yl)propanamide has a molecular weight of 274.29 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,3,3-trifluoro-2-methyl-N-(1-phenylpropan-2-yl)propanamide is sourced from PubChem (CID 79810676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).