2-methoxybenzamide;2,2,2-trifluoroacetic acid

C10H10F3NO4 — CID 69456154

IUPAC2-methoxybenzamide;2,2,2-trifluoroacetic acid
SMILESCOc1ccccc1C(N)=O.O=C(O)C(F)(F)F
InChIInChI=1S/C8H9NO2.C2HF3O2/c1-11-7-5-3-2-4-6(7)8(9)10;3-2(4,5)1(6)7/h2-5H,1H3,(H2,9,10);(H,6,7)
InChIKeyWYMOBHPVHUQEIZ-UHFFFAOYSA-N
MW265.19 g/mol
LogP1.43
Rot. Bonds2

About 2-methoxybenzamide;2,2,2-trifluoroacetic acid

2-methoxybenzamide;2,2,2-trifluoroacetic acid (PubChem CID 69456154) has the molecular formula C10H10F3NO4 and a molecular weight of 265.19 g/mol. Its IUPAC name is 2-methoxybenzamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-methoxybenzamide;2,2,2-trifluoroacetic acid
PubChem CID69456154
Molecular FormulaC10H10F3NO4
Molecular Weight265.19 g/mol
Exact Mass265.06
IUPAC Name2-methoxybenzamide;2,2,2-trifluoroacetic acid
SMILESCOc1ccccc1C(N)=O.O=C(O)C(F)(F)F
InChIInChI=1S/C8H9NO2.C2HF3O2/c1-11-7-5-3-2-4-6(7)8(9)10;3-2(4,5)1(6)7/h2-5H,1H3,(H2,9,10);(H,6,7)
InChIKeyWYMOBHPVHUQEIZ-UHFFFAOYSA-N
XLogP1.43
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.19
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2-methoxyphenyl)-2-oxoethoxy]benzamide
CID 43218560
[(2-methoxybenzoyl)amino] 2,2,2-trifluoroacetate
CID 141193046
[3-carbamoyl-2-(2-methoxyphenyl)phenyl] 2,2,2-trifluoroacetate
CID 143233935
2-phenylbenzamide;2,2,2-trifluoroacetic acid
CID 67160180
anisole;2,2,2-trifluoroacetic acid
CID 66633105
2-methoxybenzoyl iodide
CID 139677083
2-[(2-methylpropan-2-yl)oxy]benzamide
CID 23204949
(2-methoxyphenyl) 2,2,2-trifluoroacetate
CID 613204
(2-carbamoylphenyl) hydrogen carbonate
CID 91199327
2-methoxybenzoate;hydrochloride
CID 18793456
2-[(2-methoxybenzoyl)amino]-4-(trifluoromethyl)benzamide
CID 59299610
2-(2-methoxyphenyl)prop-2-enamide
CID 67011938

Frequently Asked Questions

What is the IUPAC name of 2-methoxybenzamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-methoxybenzamide;2,2,2-trifluoroacetic acid (CID 69456154) is 2-methoxybenzamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-methoxybenzamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-methoxybenzamide;2,2,2-trifluoroacetic acid is COc1ccccc1C(N)=O.O=C(O)C(F)(F)F.
What is the InChIKey of 2-methoxybenzamide;2,2,2-trifluoroacetic acid?
The InChIKey is WYMOBHPVHUQEIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2.C2HF3O2/c1-11-7-5-3-2-4-6(7)8(9)10;3-2(4,5)1(6)7/h2-5H,1H3,(H2,9,10);(H,6,7).
What are the key properties of 2-methoxybenzamide;2,2,2-trifluoroacetic acid?
2-methoxybenzamide;2,2,2-trifluoroacetic acid has a molecular weight of 265.19 g/mol, XLogP of 1.43, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxybenzamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 69456154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).