4-amino-N,N-dimethyl-3-[methyl(2,2,2-trifluoroethyl)amino]benzamide

C12H16F3N3O — CID 63361146

IUPAC4-amino-N,N-dimethyl-3-[methyl(2,2,2-trifluoroethyl)amino]benzamide
SMILESCN(C)C(=O)c1ccc(N)c(N(C)CC(F)(F)F)c1
InChIInChI=1S/C12H16F3N3O/c1-17(2)11(19)8-4-5-9(16)10(6-8)18(3)7-12(13,14)15/h4-6H,7,16H2,1-3H3
InChIKeyDSEOBRAOPQNECK-UHFFFAOYSA-N
MW275.27 g/mol
LogP1.97
Rot. Bonds3

About 4-amino-N,N-dimethyl-3-[methyl(2,2,2-trifluoroethyl)amino]benzamide

4-amino-N,N-dimethyl-3-[methyl(2,2,2-trifluoroethyl)amino]benzamide (PubChem CID 63361146) has the molecular formula C12H16F3N3O and a molecular weight of 275.27 g/mol. Its IUPAC name is 4-amino-N,N-dimethyl-3-[methyl(2,2,2-trifluoroethyl)amino]benzamide.

Molecular Properties

Compound Name4-amino-N,N-dimethyl-3-[methyl(2,2,2-trifluoroethyl)amino]benzamide
PubChem CID63361146
Molecular FormulaC12H16F3N3O
Molecular Weight275.27 g/mol
Exact Mass275.12
IUPAC Name4-amino-N,N-dimethyl-3-[methyl(2,2,2-trifluoroethyl)amino]benzamide
SMILESCN(C)C(=O)c1ccc(N)c(N(C)CC(F)(F)F)c1
InChIInChI=1S/C12H16F3N3O/c1-17(2)11(19)8-4-5-9(16)10(6-8)18(3)7-12(13,14)15/h4-6H,7,16H2,1-3H3
InChIKeyDSEOBRAOPQNECK-UHFFFAOYSA-N
XLogP1.97
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N,N-dimethylbenzamide
CID 63360563
4-amino-N,N-dimethyl-3-[methyl(2-methylpropyl)amino]benzamide
CID 63360739
4-fluoro-2-N-methyl-2-N-(2,2,2-trifluoroethyl)benzene-1,2-diamine
CID 62378502
4-amino-N-methyl-N-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)benzamide
CID 62161986
4-amino-3-[ethyl(2,2,2-trifluoroethyl)amino]benzoic acid
CID 82785995
4-amino-3-(dimethylamino)benzoic acid
CID 82785522
4-amino-N,N-dimethyl-3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]benzamide
CID 63841906
ethyl 4-amino-3-[methyl(3,3,3-trifluoropropyl)amino]benzoate
CID 82795723
4-amino-N,N-dimethyl-3-(4,4,4-trifluorobutylamino)benzamide
CID 115515375
4-amino-3-[cyclopropyl(2-hydroxyethyl)amino]-N,N-dimethylbenzamide
CID 63360938
4-amino-3-[cyclohexyl(ethyl)amino]-N,N-dimethylbenzamide
CID 63360545
4-amino-N-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 60892887

Frequently Asked Questions

What is the IUPAC name of 4-amino-N,N-dimethyl-3-[methyl(2,2,2-trifluoroethyl)amino]benzamide?
The IUPAC name of 4-amino-N,N-dimethyl-3-[methyl(2,2,2-trifluoroethyl)amino]benzamide (CID 63361146) is 4-amino-N,N-dimethyl-3-[methyl(2,2,2-trifluoroethyl)amino]benzamide.
What is the SMILES notation for 4-amino-N,N-dimethyl-3-[methyl(2,2,2-trifluoroethyl)amino]benzamide?
The canonical SMILES for 4-amino-N,N-dimethyl-3-[methyl(2,2,2-trifluoroethyl)amino]benzamide is CN(C)C(=O)c1ccc(N)c(N(C)CC(F)(F)F)c1.
What is the InChIKey of 4-amino-N,N-dimethyl-3-[methyl(2,2,2-trifluoroethyl)amino]benzamide?
The InChIKey is DSEOBRAOPQNECK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O/c1-17(2)11(19)8-4-5-9(16)10(6-8)18(3)7-12(13,14)15/h4-6H,7,16H2,1-3H3.
What are the key properties of 4-amino-N,N-dimethyl-3-[methyl(2,2,2-trifluoroethyl)amino]benzamide?
4-amino-N,N-dimethyl-3-[methyl(2,2,2-trifluoroethyl)amino]benzamide has a molecular weight of 275.27 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N,N-dimethyl-3-[methyl(2,2,2-trifluoroethyl)amino]benzamide is sourced from PubChem (CID 63361146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).