2-amino-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide;hydrochloride

C11H14ClF3N2O2 — CID 119278535

IUPAC2-amino-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide;hydrochloride
SMILESCN(Cc1ccccc1OC(F)(F)F)C(=O)CN.Cl
InChIInChI=1S/C11H13F3N2O2.ClH/c1-16(10(17)6-15)7-8-4-2-3-5-9(8)18-11(12,13)14;/h2-5H,6-7,15H2,1H3;1H
InChIKeyQJVKJBDHEFJLFM-UHFFFAOYSA-N
MW298.69 g/mol
LogP1.92
Rot. Bonds4

About 2-amino-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide;hydrochloride

2-amino-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide;hydrochloride (PubChem CID 119278535) has the molecular formula C11H14ClF3N2O2 and a molecular weight of 298.69 g/mol. Its IUPAC name is 2-amino-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide;hydrochloride
PubChem CID119278535
Molecular FormulaC11H14ClF3N2O2
Molecular Weight298.69 g/mol
Exact Mass298.07
IUPAC Name2-amino-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide;hydrochloride
SMILESCN(Cc1ccccc1OC(F)(F)F)C(=O)CN.Cl
InChIInChI=1S/C11H13F3N2O2.ClH/c1-16(10(17)6-15)7-8-4-2-3-5-9(8)18-11(12,13)14;/h2-5H,6-7,15H2,1H3;1H
InChIKeyQJVKJBDHEFJLFM-UHFFFAOYSA-N
XLogP1.92
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.69
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 119278536
3-amino-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide;hydrochloride
CID 119278533
4-amino-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]butanamide;hydrochloride
CID 119278553
2-amino-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
CID 60718962
2-amino-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide
CID 119278540
N-methyl-3-(4-methylphenyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide
CID 55550183
4-(2-fluorophenoxy)-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]butanamide
CID 55939528
2-amino-N-methyl-2-(4-methylphenyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 120666980
N-methyl-2-(4-methylphenyl)-2-oxo-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 47021295
N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]-3-(2,3,4-trimethoxyphenyl)propanamide
CID 55870983
N-[(4-methoxyphenyl)methyl]-N-methyl-2-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]acetamide
CID 78845785
2-(2-methoxyethoxy)-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
CID 55997231

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide;hydrochloride?
The IUPAC name of 2-amino-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide;hydrochloride (CID 119278535) is 2-amino-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide;hydrochloride.
What is the SMILES notation for 2-amino-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide;hydrochloride?
The canonical SMILES for 2-amino-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide;hydrochloride is CN(Cc1ccccc1OC(F)(F)F)C(=O)CN.Cl.
What is the InChIKey of 2-amino-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide;hydrochloride?
The InChIKey is QJVKJBDHEFJLFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O2.ClH/c1-16(10(17)6-15)7-8-4-2-3-5-9(8)18-11(12,13)14;/h2-5H,6-7,15H2,1H3;1H.
What are the key properties of 2-amino-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide;hydrochloride?
2-amino-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide;hydrochloride has a molecular weight of 298.69 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide;hydrochloride is sourced from PubChem (CID 119278535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).