2-fluoro-N-methyl-N-(oxolan-3-yl)-3-(trifluoromethyl)benzamide

C13H13F4NO2 — CID 79885803

IUPAC2-fluoro-N-methyl-N-(oxolan-3-yl)-3-(trifluoromethyl)benzamide
SMILESCN(C(=O)c1cccc(C(F)(F)F)c1F)C1CCOC1
InChIInChI=1S/C13H13F4NO2/c1-18(8-5-6-20-7-8)12(19)9-3-2-4-10(11(9)14)13(15,16)17/h2-4,8H,5-7H2,1H3
InChIKeyVYDGIYNUCKLXTO-UHFFFAOYSA-N
MW291.24 g/mol
LogP2.71
Rot. Bonds2

About 2-fluoro-N-methyl-N-(oxolan-3-yl)-3-(trifluoromethyl)benzamide

2-fluoro-N-methyl-N-(oxolan-3-yl)-3-(trifluoromethyl)benzamide (PubChem CID 79885803) has the molecular formula C13H13F4NO2 and a molecular weight of 291.24 g/mol. Its IUPAC name is 2-fluoro-N-methyl-N-(oxolan-3-yl)-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-fluoro-N-methyl-N-(oxolan-3-yl)-3-(trifluoromethyl)benzamide
PubChem CID79885803
Molecular FormulaC13H13F4NO2
Molecular Weight291.24 g/mol
Exact Mass291.09
IUPAC Name2-fluoro-N-methyl-N-(oxolan-3-yl)-3-(trifluoromethyl)benzamide
SMILESCN(C(=O)c1cccc(C(F)(F)F)c1F)C1CCOC1
InChIInChI=1S/C13H13F4NO2/c1-18(8-5-6-20-7-8)12(19)9-3-2-4-10(11(9)14)13(15,16)17/h2-4,8H,5-7H2,1H3
InChIKeyVYDGIYNUCKLXTO-UHFFFAOYSA-N
XLogP2.71
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.24
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclobutyl-2-fluoro-N-methyl-3-(trifluoromethyl)benzamide
CID 113252164
N-methyl-2-(methylamino)-N-(oxolan-3-yl)-3-(trifluoromethyl)benzamide
CID 82734909
2-bromo-3-fluoro-N-methyl-N-(oxolan-3-yl)benzamide
CID 82737720
2-bromo-N-methyl-N-(oxolan-3-yl)benzamide
CID 78954018
2-amino-N-methyl-N-(oxolan-3-yl)benzamide;hydrochloride
CID 119945295
2-fluoro-4-hydroxy-N-methyl-N-(oxolan-3-yl)benzamide
CID 104929947
2-bromo-4-fluoro-N-methyl-N-(oxolan-3-yl)benzamide
CID 78947672
N-(cyclobutylmethyl)-2-fluoro-N-methyl-3-(trifluoromethyl)benzamide
CID 79886002
2-hydroxy-N-methyl-3-nitro-N-[(3S)-oxolan-3-yl]benzamide
CID 99716959
4-fluoro-3-methyl-5-[methyl(oxolan-3-yl)carbamoyl]benzenesulfonyl chloride
CID 82749000
N-cycloheptyl-N-methyl-2-(trifluoromethyl)benzamide
CID 55469731
4,5-difluoro-N-methyl-2-nitro-N-(oxolan-3-yl)benzamide
CID 78997229

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-methyl-N-(oxolan-3-yl)-3-(trifluoromethyl)benzamide?
The IUPAC name of 2-fluoro-N-methyl-N-(oxolan-3-yl)-3-(trifluoromethyl)benzamide (CID 79885803) is 2-fluoro-N-methyl-N-(oxolan-3-yl)-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-fluoro-N-methyl-N-(oxolan-3-yl)-3-(trifluoromethyl)benzamide?
The canonical SMILES for 2-fluoro-N-methyl-N-(oxolan-3-yl)-3-(trifluoromethyl)benzamide is CN(C(=O)c1cccc(C(F)(F)F)c1F)C1CCOC1.
What is the InChIKey of 2-fluoro-N-methyl-N-(oxolan-3-yl)-3-(trifluoromethyl)benzamide?
The InChIKey is VYDGIYNUCKLXTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F4NO2/c1-18(8-5-6-20-7-8)12(19)9-3-2-4-10(11(9)14)13(15,16)17/h2-4,8H,5-7H2,1H3.
What are the key properties of 2-fluoro-N-methyl-N-(oxolan-3-yl)-3-(trifluoromethyl)benzamide?
2-fluoro-N-methyl-N-(oxolan-3-yl)-3-(trifluoromethyl)benzamide has a molecular weight of 291.24 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-methyl-N-(oxolan-3-yl)-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 79885803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).