2-(2-phenylpropylamino)-N-(2,2,2-trifluoroethyl)acetamide

C13H17F3N2O — CID 112682989

IUPAC2-(2-phenylpropylamino)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(CNCC(=O)NCC(F)(F)F)c1ccccc1
InChIInChI=1S/C13H17F3N2O/c1-10(11-5-3-2-4-6-11)7-17-8-12(19)18-9-13(14,15)16/h2-6,10,17H,7-9H2,1H3,(H,18,19)
InChIKeyHJWJDXZPCLQZLF-UHFFFAOYSA-N
MW274.29 g/mol
LogP2.06
Rot. Bonds6

About 2-(2-phenylpropylamino)-N-(2,2,2-trifluoroethyl)acetamide

2-(2-phenylpropylamino)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 112682989) has the molecular formula C13H17F3N2O and a molecular weight of 274.29 g/mol. Its IUPAC name is 2-(2-phenylpropylamino)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(2-phenylpropylamino)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID112682989
Molecular FormulaC13H17F3N2O
Molecular Weight274.29 g/mol
Exact Mass274.13
IUPAC Name2-(2-phenylpropylamino)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(CNCC(=O)NCC(F)(F)F)c1ccccc1
InChIInChI=1S/C13H17F3N2O/c1-10(11-5-3-2-4-6-11)7-17-8-12(19)18-9-13(14,15)16/h2-6,10,17H,7-9H2,1H3,(H,18,19)
InChIKeyHJWJDXZPCLQZLF-UHFFFAOYSA-N
XLogP2.06
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[2-oxo-2-(2-phenylpropylamino)ethyl]amino]acetic acid
CID 43465997
1-(azepan-1-yl)-2-(2-phenylpropylamino)ethanone
CID 115573496
2-benzhydrylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide
CID 112777132
2-(2-methoxypropylamino)-N-(2,2,2-trifluoroethyl)acetamide
CID 102698001
2,2-dimethyl-3-(2-phenylpropylamino)propanoic acid
CID 104591356
N-[2-oxo-2-(2-phenylpropylamino)ethyl]-4-(trifluoromethyl)benzamide
CID 42910697
(2R)-2-phenyl-N-[(2S)-2-phenylpropyl]propan-1-amine
CID 7054159
2-[(4-hydroxy-2-methylbutyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 66091400
2-anilino-N-(2,2,2-trifluoroethyl)acetamide;hydrochloride
CID 119726408
2-iodo-N-(2-phenylpropyl)acetamide
CID 64787373
N-methyl-2-[(3-methyl-2-phenylbutyl)amino]acetamide
CID 107875908
N-(2-methylpropyl)-2-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]benzamide
CID 32987501

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylpropylamino)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(2-phenylpropylamino)-N-(2,2,2-trifluoroethyl)acetamide (CID 112682989) is 2-(2-phenylpropylamino)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(2-phenylpropylamino)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(2-phenylpropylamino)-N-(2,2,2-trifluoroethyl)acetamide is CC(CNCC(=O)NCC(F)(F)F)c1ccccc1.
What is the InChIKey of 2-(2-phenylpropylamino)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is HJWJDXZPCLQZLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O/c1-10(11-5-3-2-4-6-11)7-17-8-12(19)18-9-13(14,15)16/h2-6,10,17H,7-9H2,1H3,(H,18,19).
What are the key properties of 2-(2-phenylpropylamino)-N-(2,2,2-trifluoroethyl)acetamide?
2-(2-phenylpropylamino)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 274.29 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylpropylamino)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 112682989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).