4-amino-N-methyl-N-(2,2,2-trifluoroethyl)benzamide

C10H11F3N2O — CID 60892887

IUPAC4-amino-N-methyl-N-(2,2,2-trifluoroethyl)benzamide
SMILESCN(CC(F)(F)F)C(=O)c1ccc(N)cc1
InChIInChI=1S/C10H11F3N2O/c1-15(6-10(11,12)13)9(16)7-2-4-8(14)5-3-7/h2-5H,6,14H2,1H3
InChIKeyWUEXNUFWCAVSDF-UHFFFAOYSA-N
MW232.21 g/mol
LogP1.90
Rot. Bonds2

About 4-amino-N-methyl-N-(2,2,2-trifluoroethyl)benzamide

4-amino-N-methyl-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 60892887) has the molecular formula C10H11F3N2O and a molecular weight of 232.21 g/mol. Its IUPAC name is 4-amino-N-methyl-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name4-amino-N-methyl-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID60892887
Molecular FormulaC10H11F3N2O
Molecular Weight232.21 g/mol
Exact Mass232.08
IUPAC Name4-amino-N-methyl-N-(2,2,2-trifluoroethyl)benzamide
SMILESCN(CC(F)(F)F)C(=O)c1ccc(N)cc1
InChIInChI=1S/C10H11F3N2O/c1-15(6-10(11,12)13)9(16)7-2-4-8(14)5-3-7/h2-5H,6,14H2,1H3
InChIKeyWUEXNUFWCAVSDF-UHFFFAOYSA-N
XLogP1.90
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.21
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-ethyl-N-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 69057682
4-amino-N-methyl-N-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)benzamide
CID 62161986
4-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 60946492
2-(4-aminophenyl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 60892498
5-amino-2-chloro-N-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 60893071
3-(4-aminophenyl)-1-methyl-1-(2,2,2-trifluoroethyl)urea
CID 60892761
4-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 54904763
4-amino-N-butyl-N-(2,2,2-trifluoroethyl)benzamide
CID 54906063
4-amino-N-(2-amino-2-oxoethyl)-N-methylbenzamide
CID 43373883
4-amino-N-(2-dimethylarsanylethyl)-N-methylbenzamide
CID 175266582
3,5-dibromo-N-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 103908249
4-amino-N-[3-(dimethylamino)propyl]-N-methylbenzamide
CID 22567507

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methyl-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 4-amino-N-methyl-N-(2,2,2-trifluoroethyl)benzamide (CID 60892887) is 4-amino-N-methyl-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 4-amino-N-methyl-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 4-amino-N-methyl-N-(2,2,2-trifluoroethyl)benzamide is CN(CC(F)(F)F)C(=O)c1ccc(N)cc1.
What is the InChIKey of 4-amino-N-methyl-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is WUEXNUFWCAVSDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O/c1-15(6-10(11,12)13)9(16)7-2-4-8(14)5-3-7/h2-5H,6,14H2,1H3.
What are the key properties of 4-amino-N-methyl-N-(2,2,2-trifluoroethyl)benzamide?
4-amino-N-methyl-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 232.21 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methyl-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 60892887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).