2-(4-methylphenyl)-N-(2,2,2-trifluoroethyl)propanamide

C12H14F3NO — CID 144745057

IUPAC2-(4-methylphenyl)-N-(2,2,2-trifluoroethyl)propanamide
SMILESCc1ccc(C(C)C(=O)NCC(F)(F)F)cc1
InChIInChI=1S/C12H14F3NO/c1-8-3-5-10(6-4-8)9(2)11(17)16-7-12(13,14)15/h3-6,9H,7H2,1-2H3,(H,16,17)
InChIKeyYEUZUAIEHJZDQS-UHFFFAOYSA-N
MW245.24 g/mol
LogP2.78
Rot. Bonds3

About 2-(4-methylphenyl)-N-(2,2,2-trifluoroethyl)propanamide

2-(4-methylphenyl)-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 144745057) has the molecular formula C12H14F3NO and a molecular weight of 245.24 g/mol. Its IUPAC name is 2-(4-methylphenyl)-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name2-(4-methylphenyl)-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID144745057
Molecular FormulaC12H14F3NO
Molecular Weight245.24 g/mol
Exact Mass245.10
IUPAC Name2-(4-methylphenyl)-N-(2,2,2-trifluoroethyl)propanamide
SMILESCc1ccc(C(C)C(=O)NCC(F)(F)F)cc1
InChIInChI=1S/C12H14F3NO/c1-8-3-5-10(6-4-8)9(2)11(17)16-7-12(13,14)15/h3-6,9H,7H2,1-2H3,(H,16,17)
InChIKeyYEUZUAIEHJZDQS-UHFFFAOYSA-N
XLogP2.78
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-amino-2-(4-methylphenyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 114150555
2-[[(1R)-1-(4-methylphenyl)ethyl]amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 104864899
2-(4-methylphenyl)sulfanyl-N-(2,2,2-trifluoroethyl)propanamide
CID 78760732
N-(2-hydroxypropyl)-2-(4-methylphenyl)propanamide
CID 144745101
N-[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-N'-(2,2,2-trifluoroethyl)oxamide
CID 94219164
ethane;4-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 145192130
N-[2-(cyclopropylamino)ethyl]-2-(4-methylphenyl)propanamide
CID 91645347
(2R)-2-(3,5-dimethylanilino)-N-(2,2,2-trifluoroethyl)propanamide
CID 39912363
2-[4-[(4-methylphenyl)sulfonylamino]anilino]-N-(2,2,2-trifluoroethyl)propanamide
CID 78792819
2-(5-methyl-2-propan-2-ylphenoxy)-N-(2,2,2-trifluoroethyl)propanamide
CID 78759978
2-(4-methylanilino)-N-(2,2,2-trifluoroethyl)acetamide
CID 60638136
2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2,2,2-trifluoroethyl)propanamide
CID 78762908

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 2-(4-methylphenyl)-N-(2,2,2-trifluoroethyl)propanamide (CID 144745057) is 2-(4-methylphenyl)-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 2-(4-methylphenyl)-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 2-(4-methylphenyl)-N-(2,2,2-trifluoroethyl)propanamide is Cc1ccc(C(C)C(=O)NCC(F)(F)F)cc1.
What is the InChIKey of 2-(4-methylphenyl)-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is YEUZUAIEHJZDQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO/c1-8-3-5-10(6-4-8)9(2)11(17)16-7-12(13,14)15/h3-6,9H,7H2,1-2H3,(H,16,17).
What are the key properties of 2-(4-methylphenyl)-N-(2,2,2-trifluoroethyl)propanamide?
2-(4-methylphenyl)-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 245.24 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 144745057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).