N-ethyl-3-methyl-4-(methylamino)-N-(2,2,2-trifluoroethyl)benzamide

C13H17F3N2O — CID 63213833

IUPACN-ethyl-3-methyl-4-(methylamino)-N-(2,2,2-trifluoroethyl)benzamide
SMILESCCN(CC(F)(F)F)C(=O)c1ccc(NC)c(C)c1
InChIInChI=1S/C13H17F3N2O/c1-4-18(8-13(14,15)16)12(19)10-5-6-11(17-3)9(2)7-10/h5-7,17H,4,8H2,1-3H3
InChIKeyHMCACERJZIJLSZ-UHFFFAOYSA-N
MW274.29 g/mol
LogP3.06
Rot. Bonds4

About N-ethyl-3-methyl-4-(methylamino)-N-(2,2,2-trifluoroethyl)benzamide

N-ethyl-3-methyl-4-(methylamino)-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 63213833) has the molecular formula C13H17F3N2O and a molecular weight of 274.29 g/mol. Its IUPAC name is N-ethyl-3-methyl-4-(methylamino)-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound NameN-ethyl-3-methyl-4-(methylamino)-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID63213833
Molecular FormulaC13H17F3N2O
Molecular Weight274.29 g/mol
Exact Mass274.13
IUPAC NameN-ethyl-3-methyl-4-(methylamino)-N-(2,2,2-trifluoroethyl)benzamide
SMILESCCN(CC(F)(F)F)C(=O)c1ccc(NC)c(C)c1
InChIInChI=1S/C13H17F3N2O/c1-4-18(8-13(14,15)16)12(19)10-5-6-11(17-3)9(2)7-10/h5-7,17H,4,8H2,1-3H3
InChIKeyHMCACERJZIJLSZ-UHFFFAOYSA-N
XLogP3.06
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(ethylamino)-3-methyl-N-propyl-N-(2,2,2-trifluoroethyl)benzamide
CID 63214137
4-chloro-N-ethyl-3-methyl-N-(2,2,2-trifluoroethyl)benzamide;ethane
CID 161395322
N-(2-cyanopropyl)-N-ethyl-3-methyl-4-(methylamino)benzamide
CID 63213768
N-ethyl-4-(ethylamino)-N-(2-hydroxy-2-methylpropyl)-3-methylbenzamide
CID 79386429
N-ethyl-3-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 78858632
N-ethyl-3-methyl-4-(methylamino)-N-(4-methylphenyl)benzamide
CID 63213973
4-hydroxy-3-methyl-N-propyl-N-(2,2,2-trifluoroethyl)benzamide
CID 103956777
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-methyl-4-(methylamino)benzamide
CID 107486050
N-ethyl-3-hydroxy-4-iodo-N-(2,2,2-trifluoroethyl)benzamide
CID 104627951
3-amino-4-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)benzamide
CID 55006686
N-ethyl-6-methyl-4-(methylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 81243054
3-(3-aminoprop-1-ynyl)-N-ethyl-4-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 81460123

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methyl-4-(methylamino)-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of N-ethyl-3-methyl-4-(methylamino)-N-(2,2,2-trifluoroethyl)benzamide (CID 63213833) is N-ethyl-3-methyl-4-(methylamino)-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for N-ethyl-3-methyl-4-(methylamino)-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for N-ethyl-3-methyl-4-(methylamino)-N-(2,2,2-trifluoroethyl)benzamide is CCN(CC(F)(F)F)C(=O)c1ccc(NC)c(C)c1.
What is the InChIKey of N-ethyl-3-methyl-4-(methylamino)-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is HMCACERJZIJLSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O/c1-4-18(8-13(14,15)16)12(19)10-5-6-11(17-3)9(2)7-10/h5-7,17H,4,8H2,1-3H3.
What are the key properties of N-ethyl-3-methyl-4-(methylamino)-N-(2,2,2-trifluoroethyl)benzamide?
N-ethyl-3-methyl-4-(methylamino)-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 274.29 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methyl-4-(methylamino)-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 63213833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).