N-[(2-methylphenyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide

C12H15F3N2O — CID 78914832

IUPACN-[(2-methylphenyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCc1ccccc1CNC(=O)CNCC(F)(F)F
InChIInChI=1S/C12H15F3N2O/c1-9-4-2-3-5-10(9)6-17-11(18)7-16-8-12(13,14)15/h2-5,16H,6-8H2,1H3,(H,17,18)
InChIKeyQNPMVJDCJUFOQW-UHFFFAOYSA-N
MW260.26 g/mol
LogP1.76
Rot. Bonds5

About N-[(2-methylphenyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide

N-[(2-methylphenyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 78914832) has the molecular formula C12H15F3N2O and a molecular weight of 260.26 g/mol. Its IUPAC name is N-[(2-methylphenyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-[(2-methylphenyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID78914832
Molecular FormulaC12H15F3N2O
Molecular Weight260.26 g/mol
Exact Mass260.11
IUPAC NameN-[(2-methylphenyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCc1ccccc1CNC(=O)CNCC(F)(F)F
InChIInChI=1S/C12H15F3N2O/c1-9-4-2-3-5-10(9)6-17-11(18)7-16-8-12(13,14)15/h2-5,16H,6-8H2,1H3,(H,17,18)
InChIKeyQNPMVJDCJUFOQW-UHFFFAOYSA-N
XLogP1.76
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-methylphenyl)methyl]-2-[(2-methylphenyl)methylamino]acetamide
CID 108996489
N-[[2-(methoxymethyl)phenyl]methyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78942336
N-[(3-methyl-2-pyridinyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78958341
2-(2-methylphenyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 51072880
2-(2-fluorophenyl)-N-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]acetamide
CID 112992093
2-[(2-methoxyphenyl)methylamino]-N-[(2-methylphenyl)methyl]acetamide
CID 108996645
N-[(3-methylthiophen-2-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78932006
N-[(1,5-dimethylpyrrol-2-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78958534
3,3-dimethyl-N-[(2-methylphenyl)methyl]butanamide
CID 110755430
2-chloro-N-[(2-methylphenyl)methyl]acetamide
CID 9291148
N-[(5-methylthiophen-2-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78924305
2-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide
CID 18105664

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylphenyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-[(2-methylphenyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide (CID 78914832) is N-[(2-methylphenyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-[(2-methylphenyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-[(2-methylphenyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide is Cc1ccccc1CNC(=O)CNCC(F)(F)F.
What is the InChIKey of N-[(2-methylphenyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is QNPMVJDCJUFOQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O/c1-9-4-2-3-5-10(9)6-17-11(18)7-16-8-12(13,14)15/h2-5,16H,6-8H2,1H3,(H,17,18).
What are the key properties of N-[(2-methylphenyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide?
N-[(2-methylphenyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 260.26 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylphenyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 78914832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).