N-[1-[2-(difluoromethoxy)phenyl]-2,2,2-trifluoroethyl]-2-(methylamino)acetamide;hydrochloride

C12H14ClF5N2O2 — CID 120705858

IUPACN-[1-[2-(difluoromethoxy)phenyl]-2,2,2-trifluoroethyl]-2-(methylamino)acetamide;hydrochloride
SMILESCNCC(=O)NC(c1ccccc1OC(F)F)C(F)(F)F.Cl
InChIInChI=1S/C12H13F5N2O2.ClH/c1-18-6-9(20)19-10(12(15,16)17)7-4-2-3-5-8(7)21-11(13)14;/h2-5,10-11,18H,6H2,1H3,(H,19,20);1H
InChIKeyILOKQWITWBEGNP-UHFFFAOYSA-N
MW348.70 g/mol
LogP2.65
Rot. Bonds6

About N-[1-[2-(difluoromethoxy)phenyl]-2,2,2-trifluoroethyl]-2-(methylamino)acetamide;hydrochloride

N-[1-[2-(difluoromethoxy)phenyl]-2,2,2-trifluoroethyl]-2-(methylamino)acetamide;hydrochloride (PubChem CID 120705858) has the molecular formula C12H14ClF5N2O2 and a molecular weight of 348.70 g/mol. Its IUPAC name is N-[1-[2-(difluoromethoxy)phenyl]-2,2,2-trifluoroethyl]-2-(methylamino)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[1-[2-(difluoromethoxy)phenyl]-2,2,2-trifluoroethyl]-2-(methylamino)acetamide;hydrochloride
PubChem CID120705858
Molecular FormulaC12H14ClF5N2O2
Molecular Weight348.70 g/mol
Exact Mass348.07
IUPAC NameN-[1-[2-(difluoromethoxy)phenyl]-2,2,2-trifluoroethyl]-2-(methylamino)acetamide;hydrochloride
SMILESCNCC(=O)NC(c1ccccc1OC(F)F)C(F)(F)F.Cl
InChIInChI=1S/C12H13F5N2O2.ClH/c1-18-6-9(20)19-10(12(15,16)17)7-4-2-3-5-8(7)21-11(13)14;/h2-5,10-11,18H,6H2,1H3,(H,19,20);1H
InChIKeyILOKQWITWBEGNP-UHFFFAOYSA-N
XLogP2.65
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.70
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(difluoromethoxy)phenyl]-2,2,2-trifluoroethyl]-2-(methylamino)acetamide;hydrochloride?
The IUPAC name of N-[1-[2-(difluoromethoxy)phenyl]-2,2,2-trifluoroethyl]-2-(methylamino)acetamide;hydrochloride (CID 120705858) is N-[1-[2-(difluoromethoxy)phenyl]-2,2,2-trifluoroethyl]-2-(methylamino)acetamide;hydrochloride.
What is the SMILES notation for N-[1-[2-(difluoromethoxy)phenyl]-2,2,2-trifluoroethyl]-2-(methylamino)acetamide;hydrochloride?
The canonical SMILES for N-[1-[2-(difluoromethoxy)phenyl]-2,2,2-trifluoroethyl]-2-(methylamino)acetamide;hydrochloride is CNCC(=O)NC(c1ccccc1OC(F)F)C(F)(F)F.Cl.
What is the InChIKey of N-[1-[2-(difluoromethoxy)phenyl]-2,2,2-trifluoroethyl]-2-(methylamino)acetamide;hydrochloride?
The InChIKey is ILOKQWITWBEGNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F5N2O2.ClH/c1-18-6-9(20)19-10(12(15,16)17)7-4-2-3-5-8(7)21-11(13)14;/h2-5,10-11,18H,6H2,1H3,(H,19,20);1H.
What are the key properties of N-[1-[2-(difluoromethoxy)phenyl]-2,2,2-trifluoroethyl]-2-(methylamino)acetamide;hydrochloride?
N-[1-[2-(difluoromethoxy)phenyl]-2,2,2-trifluoroethyl]-2-(methylamino)acetamide;hydrochloride has a molecular weight of 348.70 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(difluoromethoxy)phenyl]-2,2,2-trifluoroethyl]-2-(methylamino)acetamide;hydrochloride is sourced from PubChem (CID 120705858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).