2-amino-3,3,3-trifluoro-2-methyl-N-[(4-methylphenyl)methyl]propanamide

C12H15F3N2O — CID 79796775

IUPAC2-amino-3,3,3-trifluoro-2-methyl-N-[(4-methylphenyl)methyl]propanamide
SMILESCc1ccc(CNC(=O)C(C)(N)C(F)(F)F)cc1
InChIInChI=1S/C12H15F3N2O/c1-8-3-5-9(6-4-8)7-17-10(18)11(2,16)12(13,14)15/h3-6H,7,16H2,1-2H3,(H,17,18)
InChIKeyXTZQGAVOXBQEGN-UHFFFAOYSA-N
MW260.26 g/mol
LogP1.89
Rot. Bonds3

About 2-amino-3,3,3-trifluoro-2-methyl-N-[(4-methylphenyl)methyl]propanamide

2-amino-3,3,3-trifluoro-2-methyl-N-[(4-methylphenyl)methyl]propanamide (PubChem CID 79796775) has the molecular formula C12H15F3N2O and a molecular weight of 260.26 g/mol. Its IUPAC name is 2-amino-3,3,3-trifluoro-2-methyl-N-[(4-methylphenyl)methyl]propanamide.

Molecular Properties

Compound Name2-amino-3,3,3-trifluoro-2-methyl-N-[(4-methylphenyl)methyl]propanamide
PubChem CID79796775
Molecular FormulaC12H15F3N2O
Molecular Weight260.26 g/mol
Exact Mass260.11
IUPAC Name2-amino-3,3,3-trifluoro-2-methyl-N-[(4-methylphenyl)methyl]propanamide
SMILESCc1ccc(CNC(=O)C(C)(N)C(F)(F)F)cc1
InChIInChI=1S/C12H15F3N2O/c1-8-3-5-9(6-4-8)7-17-10(18)11(2,16)12(13,14)15/h3-6H,7,16H2,1-2H3,(H,17,18)
InChIKeyXTZQGAVOXBQEGN-UHFFFAOYSA-N
XLogP1.89
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-3,3,3-trifluoro-2-methyl-N-[(4-propan-2-ylphenyl)methyl]propanamide
CID 79811205
2,2,3,3-tetrafluoro-N-[(4-methylphenyl)methyl]propanamide
CID 103731962
2-amino-N-[2-(benzylamino)-2-oxoethyl]-3,3,3-trifluoro-2-methylpropanamide
CID 79792967
2-amino-3,3,3-trifluoro-N-[[3-(hydroxymethyl)phenyl]methyl]-2-methylpropanamide
CID 107218398
3-amino-3-methyl-N-[(4-methylphenyl)methyl]butanamide
CID 64686332
2-amino-N-(1,3-benzodioxol-5-ylmethyl)-3,3,3-trifluoro-2-methylpropanamide
CID 79805023
2-(ethylamino)-2-methyl-N-[(4-methylphenyl)methyl]propanamide
CID 62831732
2,2-dimethyl-N-[(4-methylphenyl)methyl]-N'-(pyridin-4-ylmethyl)propanediamide
CID 108961964
N,N'-bis[(4-methylphenyl)methyl]oxamide
CID 3116969
3,3,3-trifluoro-2-methyl-2-[(4-methylphenyl)methylamino]propanoic acid
CID 79789915
N-[(4-acetamidophenyl)methyl]-2-amino-2-methylpropanamide
CID 61267036
4-[[[2-methyl-2-(4-methylphenyl)propanoyl]amino]methyl]benzoic acid
CID 119165621

Frequently Asked Questions

What is the IUPAC name of 2-amino-3,3,3-trifluoro-2-methyl-N-[(4-methylphenyl)methyl]propanamide?
The IUPAC name of 2-amino-3,3,3-trifluoro-2-methyl-N-[(4-methylphenyl)methyl]propanamide (CID 79796775) is 2-amino-3,3,3-trifluoro-2-methyl-N-[(4-methylphenyl)methyl]propanamide.
What is the SMILES notation for 2-amino-3,3,3-trifluoro-2-methyl-N-[(4-methylphenyl)methyl]propanamide?
The canonical SMILES for 2-amino-3,3,3-trifluoro-2-methyl-N-[(4-methylphenyl)methyl]propanamide is Cc1ccc(CNC(=O)C(C)(N)C(F)(F)F)cc1.
What is the InChIKey of 2-amino-3,3,3-trifluoro-2-methyl-N-[(4-methylphenyl)methyl]propanamide?
The InChIKey is XTZQGAVOXBQEGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O/c1-8-3-5-9(6-4-8)7-17-10(18)11(2,16)12(13,14)15/h3-6H,7,16H2,1-2H3,(H,17,18).
What are the key properties of 2-amino-3,3,3-trifluoro-2-methyl-N-[(4-methylphenyl)methyl]propanamide?
2-amino-3,3,3-trifluoro-2-methyl-N-[(4-methylphenyl)methyl]propanamide has a molecular weight of 260.26 g/mol, XLogP of 1.89, 3 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-[(4-methylphenyl)methyl]propanamide is sourced from PubChem (CID 79796775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).