2-(methylamino)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide;hydrochloride

C12H16ClF3N2O2 — CID 119701626

IUPAC2-(methylamino)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide;hydrochloride
SMILESCNCC(=O)NCc1ccc(OCC(F)(F)F)cc1.Cl
InChIInChI=1S/C12H15F3N2O2.ClH/c1-16-7-11(18)17-6-9-2-4-10(5-3-9)19-8-12(13,14)15;/h2-5,16H,6-8H2,1H3,(H,17,18);1H
InChIKeyFBDHEKLEMYRYQC-UHFFFAOYSA-N
MW312.72 g/mol
LogP1.89
Rot. Bonds6

About 2-(methylamino)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide;hydrochloride

2-(methylamino)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide;hydrochloride (PubChem CID 119701626) has the molecular formula C12H16ClF3N2O2 and a molecular weight of 312.72 g/mol. Its IUPAC name is 2-(methylamino)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(methylamino)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide;hydrochloride
PubChem CID119701626
Molecular FormulaC12H16ClF3N2O2
Molecular Weight312.72 g/mol
Exact Mass312.09
IUPAC Name2-(methylamino)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide;hydrochloride
SMILESCNCC(=O)NCc1ccc(OCC(F)(F)F)cc1.Cl
InChIInChI=1S/C12H15F3N2O2.ClH/c1-16-7-11(18)17-6-9-2-4-10(5-3-9)19-8-12(13,14)15;/h2-5,16H,6-8H2,1H3,(H,17,18);1H
InChIKeyFBDHEKLEMYRYQC-UHFFFAOYSA-N
XLogP1.89
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.72
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(ethylamino)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide
CID 60718885
2-amino-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide;hydrochloride
CID 119277633
N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide
CID 60713140
N-[(4-ethoxyphenyl)methyl]-2-(methylamino)acetamide;hydrochloride
CID 119714333
2-bromo-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide
CID 55257440
4-amino-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]butanamide;hydrochloride
CID 119277655
2-(2-methylphenyl)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide
CID 30293543
2-amino-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]propanamide;hydrochloride
CID 119277641
N-[[4-[2-(4-chlorophenoxy)ethoxy]phenyl]methyl]-2-(methylamino)acetamide
CID 119773408
N-[[4-(4-fluorophenoxy)phenyl]methyl]-2-(methylamino)acetamide
CID 61260109
2-(4-ethoxyphenyl)sulfanyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide
CID 31519678
4-(4-ethylphenyl)-4-oxo-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]butanamide
CID 31165478

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide;hydrochloride?
The IUPAC name of 2-(methylamino)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide;hydrochloride (CID 119701626) is 2-(methylamino)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(methylamino)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide;hydrochloride?
The canonical SMILES for 2-(methylamino)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide;hydrochloride is CNCC(=O)NCc1ccc(OCC(F)(F)F)cc1.Cl.
What is the InChIKey of 2-(methylamino)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide;hydrochloride?
The InChIKey is FBDHEKLEMYRYQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O2.ClH/c1-16-7-11(18)17-6-9-2-4-10(5-3-9)19-8-12(13,14)15;/h2-5,16H,6-8H2,1H3,(H,17,18);1H.
What are the key properties of 2-(methylamino)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide;hydrochloride?
2-(methylamino)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide;hydrochloride has a molecular weight of 312.72 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide;hydrochloride is sourced from PubChem (CID 119701626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).