2,3-dimethyl-N-(2,2,2-trifluoroethoxy)benzamide

C11H12F3NO2 — CID 81341000

IUPAC2,3-dimethyl-N-(2,2,2-trifluoroethoxy)benzamide
SMILESCc1cccc(C(=O)NOCC(F)(F)F)c1C
InChIInChI=1S/C11H12F3NO2/c1-7-4-3-5-9(8(7)2)10(16)15-17-6-11(12,13)14/h3-5H,6H2,1-2H3,(H,15,16)
InChIKeyXXWFBFMJGNGYPP-UHFFFAOYSA-N
MW247.22 g/mol
LogP2.53
Rot. Bonds3

About 2,3-dimethyl-N-(2,2,2-trifluoroethoxy)benzamide

2,3-dimethyl-N-(2,2,2-trifluoroethoxy)benzamide (PubChem CID 81341000) has the molecular formula C11H12F3NO2 and a molecular weight of 247.22 g/mol. Its IUPAC name is 2,3-dimethyl-N-(2,2,2-trifluoroethoxy)benzamide.

Molecular Properties

Compound Name2,3-dimethyl-N-(2,2,2-trifluoroethoxy)benzamide
PubChem CID81341000
Molecular FormulaC11H12F3NO2
Molecular Weight247.22 g/mol
Exact Mass247.08
IUPAC Name2,3-dimethyl-N-(2,2,2-trifluoroethoxy)benzamide
SMILESCc1cccc(C(=O)NOCC(F)(F)F)c1C
InChIInChI=1S/C11H12F3NO2/c1-7-4-3-5-9(8(7)2)10(16)15-17-6-11(12,13)14/h3-5H,6H2,1-2H3,(H,15,16)
InChIKeyXXWFBFMJGNGYPP-UHFFFAOYSA-N
XLogP2.53
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.22
LogP ≤ 52.53
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

2,3-dimethylbenzohydrazide
CID 16790549
2,5-dimethyl-N-(2,2,2-trifluoroethoxy)thiophene-3-carboxamide
CID 81339728
3-bromo-2-chloro-N-(2,2,2-trifluoroethoxy)benzamide
CID 113364345
2-[acetyl(methyl)amino]-N-(2,2,2-trifluoroethoxy)benzamide
CID 81340040
1-(2,3-dimethylphenyl)-3,3,3-trifluoropropan-1-one
CID 62548173
3-hydroxy-4-methyl-N-(2,2,2-trifluoroethoxy)benzamide
CID 82722087
ethane;N,2,3-trimethylbenzamide
CID 178108869
N-(2,2,2-trifluoroethoxy)-1-benzothiophene-3-carboxamide
CID 81340322
2,5-dibromo-N-(2,2,2-trifluoroethoxy)benzamide
CID 114374002
2-[(2-bromo-3-methylbenzoyl)amino]oxyacetic acid
CID 107981467
2-chloro-6-fluoro-N-(2,2,2-trifluoroethoxy)benzamide
CID 81340114
4-bromo-2-methoxy-N-(2,2,2-trifluoroethoxy)benzamide
CID 81339730

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-(2,2,2-trifluoroethoxy)benzamide?
The IUPAC name of 2,3-dimethyl-N-(2,2,2-trifluoroethoxy)benzamide (CID 81341000) is 2,3-dimethyl-N-(2,2,2-trifluoroethoxy)benzamide.
What is the SMILES notation for 2,3-dimethyl-N-(2,2,2-trifluoroethoxy)benzamide?
The canonical SMILES for 2,3-dimethyl-N-(2,2,2-trifluoroethoxy)benzamide is Cc1cccc(C(=O)NOCC(F)(F)F)c1C.
What is the InChIKey of 2,3-dimethyl-N-(2,2,2-trifluoroethoxy)benzamide?
The InChIKey is XXWFBFMJGNGYPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO2/c1-7-4-3-5-9(8(7)2)10(16)15-17-6-11(12,13)14/h3-5H,6H2,1-2H3,(H,15,16).
What are the key properties of 2,3-dimethyl-N-(2,2,2-trifluoroethoxy)benzamide?
2,3-dimethyl-N-(2,2,2-trifluoroethoxy)benzamide has a molecular weight of 247.22 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-(2,2,2-trifluoroethoxy)benzamide is sourced from PubChem (CID 81341000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).