4-(ethylamino)-3-methyl-N-propyl-N-(2,2,2-trifluoroethyl)benzamide

C15H21F3N2O — CID 63214137

IUPAC4-(ethylamino)-3-methyl-N-propyl-N-(2,2,2-trifluoroethyl)benzamide
SMILESCCCN(CC(F)(F)F)C(=O)c1ccc(NCC)c(C)c1
InChIInChI=1S/C15H21F3N2O/c1-4-8-20(10-15(16,17)18)14(21)12-6-7-13(19-5-2)11(3)9-12/h6-7,9,19H,4-5,8,10H2,1-3H3
InChIKeyHQKXPHMBDASUHU-UHFFFAOYSA-N
MW302.34 g/mol
LogP3.84
Rot. Bonds6

About 4-(ethylamino)-3-methyl-N-propyl-N-(2,2,2-trifluoroethyl)benzamide

4-(ethylamino)-3-methyl-N-propyl-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 63214137) has the molecular formula C15H21F3N2O and a molecular weight of 302.34 g/mol. Its IUPAC name is 4-(ethylamino)-3-methyl-N-propyl-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name4-(ethylamino)-3-methyl-N-propyl-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID63214137
Molecular FormulaC15H21F3N2O
Molecular Weight302.34 g/mol
Exact Mass302.16
IUPAC Name4-(ethylamino)-3-methyl-N-propyl-N-(2,2,2-trifluoroethyl)benzamide
SMILESCCCN(CC(F)(F)F)C(=O)c1ccc(NCC)c(C)c1
InChIInChI=1S/C15H21F3N2O/c1-4-8-20(10-15(16,17)18)14(21)12-6-7-13(19-5-2)11(3)9-12/h6-7,9,19H,4-5,8,10H2,1-3H3
InChIKeyHQKXPHMBDASUHU-UHFFFAOYSA-N
XLogP3.84
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(ethylamino)-3-methyl-N-propyl-N-(2,2,2-trifluoroethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-hydroxy-3-methyl-N-propyl-N-(2,2,2-trifluoroethyl)benzamide
CID 103956777
N-ethyl-3-methyl-4-(methylamino)-N-(2,2,2-trifluoroethyl)benzamide
CID 63213833
N-ethyl-4-(ethylamino)-N-(2-hydroxy-2-methylpropyl)-3-methylbenzamide
CID 79386429
N-cyclopropyl-4-(ethylamino)-3-methyl-N-propylbenzamide
CID 63210133
2-hydrazinyl-5-methyl-N-propyl-N-(2,2,2-trifluoroethyl)benzamide
CID 62511147
N-butyl-N-cyclopropyl-4-(ethylamino)-3-methylbenzamide
CID 63213660
4-chloro-N-ethyl-3-methyl-N-(2,2,2-trifluoroethyl)benzamide;ethane
CID 161395322
4-fluoro-3-methyl-N,N-dipropylbenzamide
CID 63212171
N-(2-bromoethyl)-4-chloro-3-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 107492674
4-(ethylamino)-N-propyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
CID 62180104
6-oxo-N-propyl-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide
CID 60778275
N-(3-amino-2,2-dimethylpropyl)-4-hydroxy-3-methyl-N-propylbenzamide
CID 107672177

Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-3-methyl-N-propyl-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 4-(ethylamino)-3-methyl-N-propyl-N-(2,2,2-trifluoroethyl)benzamide (CID 63214137) is 4-(ethylamino)-3-methyl-N-propyl-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 4-(ethylamino)-3-methyl-N-propyl-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 4-(ethylamino)-3-methyl-N-propyl-N-(2,2,2-trifluoroethyl)benzamide is CCCN(CC(F)(F)F)C(=O)c1ccc(NCC)c(C)c1.
What is the InChIKey of 4-(ethylamino)-3-methyl-N-propyl-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is HQKXPHMBDASUHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2O/c1-4-8-20(10-15(16,17)18)14(21)12-6-7-13(19-5-2)11(3)9-12/h6-7,9,19H,4-5,8,10H2,1-3H3.
What are the key properties of 4-(ethylamino)-3-methyl-N-propyl-N-(2,2,2-trifluoroethyl)benzamide?
4-(ethylamino)-3-methyl-N-propyl-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 302.34 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-3-methyl-N-propyl-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 63214137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).