N-methoxy-N,3-dimethyl-4-(trifluoromethyl)benzamide

C11H12F3NO2 — CID 86086315

IUPACN-methoxy-N,3-dimethyl-4-(trifluoromethyl)benzamide
SMILESCON(C)C(=O)c1ccc(C(F)(F)F)c(C)c1
InChIInChI=1S/C11H12F3NO2/c1-7-6-8(10(16)15(2)17-3)4-5-9(7)11(12,13)14/h4-6H,1-3H3
InChIKeyGZQIMXOARFPPGS-UHFFFAOYSA-N
MW247.22 g/mol
LogP2.65
Rot. Bonds2

About N-methoxy-N,3-dimethyl-4-(trifluoromethyl)benzamide

N-methoxy-N,3-dimethyl-4-(trifluoromethyl)benzamide (PubChem CID 86086315) has the molecular formula C11H12F3NO2 and a molecular weight of 247.22 g/mol. Its IUPAC name is N-methoxy-N,3-dimethyl-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-methoxy-N,3-dimethyl-4-(trifluoromethyl)benzamide
PubChem CID86086315
Molecular FormulaC11H12F3NO2
Molecular Weight247.22 g/mol
Exact Mass247.08
IUPAC NameN-methoxy-N,3-dimethyl-4-(trifluoromethyl)benzamide
SMILESCON(C)C(=O)c1ccc(C(F)(F)F)c(C)c1
InChIInChI=1S/C11H12F3NO2/c1-7-6-8(10(16)15(2)17-3)4-5-9(7)11(12,13)14/h4-6H,1-3H3
InChIKeyGZQIMXOARFPPGS-UHFFFAOYSA-N
XLogP2.65
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.22
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methoxy-N,3-dimethyl-4-(trifluoromethyl)benzamide;3-methyl-4-(trifluoromethyl)benzoic acid
CID 159162955
N-methoxy-N,3,4-trimethylbenzamide
CID 14973055
3-amino-N-methoxy-N,4-dimethylbenzamide
CID 43627456
3-bromo-4-(1,1-difluoro-2-methoxyethyl)-N-methoxy-N-methylbenzamide
CID 171484175
N-methoxy-N-methyl-4-(2-methylsulfonylethoxy)-3-(trifluoromethyl)benzamide
CID 171484135
N-methoxy-N,3-dimethyl-5-(trifluoromethyl)benzamide
CID 58319295
4-tert-butyl-N,N,3-trimethylbenzamide
CID 118473510
4-chloro-N-methoxy-N-methyl-2-(trifluoromethyl)benzamide
CID 162570663
N-methoxy-N-methyl-3-(trifluoromethylsulfanyl)benzamide
CID 58962540
N-methoxy-N,5,6-trimethylpyridine-3-carboxamide
CID 130211578
ethane;4-fluoro-N-methoxy-N-methylbenzamide;methanethiol
CID 143189438
5-tert-butyl-1-N,3-N-dimethoxy-1-N,3-N-dimethylbenzene-1,3-dicarboxamide
CID 58045996

Frequently Asked Questions

What is the IUPAC name of N-methoxy-N,3-dimethyl-4-(trifluoromethyl)benzamide?
The IUPAC name of N-methoxy-N,3-dimethyl-4-(trifluoromethyl)benzamide (CID 86086315) is N-methoxy-N,3-dimethyl-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-methoxy-N,3-dimethyl-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-methoxy-N,3-dimethyl-4-(trifluoromethyl)benzamide is CON(C)C(=O)c1ccc(C(F)(F)F)c(C)c1.
What is the InChIKey of N-methoxy-N,3-dimethyl-4-(trifluoromethyl)benzamide?
The InChIKey is GZQIMXOARFPPGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO2/c1-7-6-8(10(16)15(2)17-3)4-5-9(7)11(12,13)14/h4-6H,1-3H3.
What are the key properties of N-methoxy-N,3-dimethyl-4-(trifluoromethyl)benzamide?
N-methoxy-N,3-dimethyl-4-(trifluoromethyl)benzamide has a molecular weight of 247.22 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-N,3-dimethyl-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 86086315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).