2-fluoro-N-[(2-methylpropan-2-yl)oxy]-3-(trifluoromethyl)benzamide

C12H13F4NO2 — CID 82723802

IUPAC2-fluoro-N-[(2-methylpropan-2-yl)oxy]-3-(trifluoromethyl)benzamide
SMILESCC(C)(C)ONC(=O)c1cccc(C(F)(F)F)c1F
InChIInChI=1S/C12H13F4NO2/c1-11(2,3)19-17-10(18)7-5-4-6-8(9(7)13)12(14,15)16/h4-6H,1-3H3,(H,17,18)
InChIKeyNFFXFYNAZVGUOJ-UHFFFAOYSA-N
MW279.23 g/mol
LogP3.30
Rot. Bonds2

About 2-fluoro-N-[(2-methylpropan-2-yl)oxy]-3-(trifluoromethyl)benzamide

2-fluoro-N-[(2-methylpropan-2-yl)oxy]-3-(trifluoromethyl)benzamide (PubChem CID 82723802) has the molecular formula C12H13F4NO2 and a molecular weight of 279.23 g/mol. Its IUPAC name is 2-fluoro-N-[(2-methylpropan-2-yl)oxy]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-fluoro-N-[(2-methylpropan-2-yl)oxy]-3-(trifluoromethyl)benzamide
PubChem CID82723802
Molecular FormulaC12H13F4NO2
Molecular Weight279.23 g/mol
Exact Mass279.09
IUPAC Name2-fluoro-N-[(2-methylpropan-2-yl)oxy]-3-(trifluoromethyl)benzamide
SMILESCC(C)(C)ONC(=O)c1cccc(C(F)(F)F)c1F
InChIInChI=1S/C12H13F4NO2/c1-11(2,3)19-17-10(18)7-5-4-6-8(9(7)13)12(14,15)16/h4-6H,1-3H3,(H,17,18)
InChIKeyNFFXFYNAZVGUOJ-UHFFFAOYSA-N
XLogP3.30
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.23
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-N-hydroxy-3-(trifluoromethyl)benzamide
CID 18696136
2-fluoro-N-(2-methylbut-3-yn-2-yl)-3-(trifluoromethyl)benzamide
CID 79885632
methyl 2-[[2-fluoro-3-(trifluoromethyl)benzoyl]amino]acetate
CID 79885001
N-butan-2-yl-2-fluoro-3-(trifluoromethyl)benzamide
CID 79885795
N-(1-amino-2,4-dimethylpentan-2-yl)-2-fluoro-3-(trifluoromethyl)benzamide
CID 119599272
N-(2-chloroprop-2-enyl)-2-fluoro-3-(trifluoromethyl)benzamide
CID 115681898
N-[2-(carbamoylamino)ethyl]-2-fluoro-3-(trifluoromethyl)benzamide
CID 79885734
2-(2-methoxyethoxy)ethyl 2-fluoro-3-(trifluoromethyl)benzoate
CID 115682836
N-(4-chloro-2,2-dimethylbutyl)-2-fluoro-3-(trifluoromethyl)benzamide
CID 106142634
2-fluoro-3-(trifluoromethyl)benzoyl chloride
CID 2737559
N-[2-(aminomethyl)cyclohexyl]-2-fluoro-3-(trifluoromethyl)benzamide
CID 119611281
N-[4-(dimethylamino)butan-2-yl]-2-fluoro-3-(trifluoromethyl)benzamide
CID 71976318

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(2-methylpropan-2-yl)oxy]-3-(trifluoromethyl)benzamide?
The IUPAC name of 2-fluoro-N-[(2-methylpropan-2-yl)oxy]-3-(trifluoromethyl)benzamide (CID 82723802) is 2-fluoro-N-[(2-methylpropan-2-yl)oxy]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-fluoro-N-[(2-methylpropan-2-yl)oxy]-3-(trifluoromethyl)benzamide?
The canonical SMILES for 2-fluoro-N-[(2-methylpropan-2-yl)oxy]-3-(trifluoromethyl)benzamide is CC(C)(C)ONC(=O)c1cccc(C(F)(F)F)c1F.
What is the InChIKey of 2-fluoro-N-[(2-methylpropan-2-yl)oxy]-3-(trifluoromethyl)benzamide?
The InChIKey is NFFXFYNAZVGUOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F4NO2/c1-11(2,3)19-17-10(18)7-5-4-6-8(9(7)13)12(14,15)16/h4-6H,1-3H3,(H,17,18).
What are the key properties of 2-fluoro-N-[(2-methylpropan-2-yl)oxy]-3-(trifluoromethyl)benzamide?
2-fluoro-N-[(2-methylpropan-2-yl)oxy]-3-(trifluoromethyl)benzamide has a molecular weight of 279.23 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(2-methylpropan-2-yl)oxy]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 82723802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).