3-(2-aminophenyl)-N-[2-(4-methylphenyl)ethyl]-N-(2,2,2-trifluoroethyl)propanamide;hydrochloride

C20H24ClF3N2O — CID 120611397

IUPAC3-(2-aminophenyl)-N-[2-(4-methylphenyl)ethyl]-N-(2,2,2-trifluoroethyl)propanamide;hydrochloride
SMILESCc1ccc(CCN(CC(F)(F)F)C(=O)CCc2ccccc2N)cc1.Cl
InChIInChI=1S/C20H23F3N2O.ClH/c1-15-6-8-16(9-7-15)12-13-25(14-20(21,22)23)19(26)11-10-17-4-2-3-5-18(17)24;/h2-9H,10-14,24H2,1H3;1H
InChIKeyUNAFABAFFYNPHK-UHFFFAOYSA-N
MW400.87 g/mol
LogP4.57
Rot. Bonds7

About 3-(2-aminophenyl)-N-[2-(4-methylphenyl)ethyl]-N-(2,2,2-trifluoroethyl)propanamide;hydrochloride

3-(2-aminophenyl)-N-[2-(4-methylphenyl)ethyl]-N-(2,2,2-trifluoroethyl)propanamide;hydrochloride (PubChem CID 120611397) has the molecular formula C20H24ClF3N2O and a molecular weight of 400.87 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-[2-(4-methylphenyl)ethyl]-N-(2,2,2-trifluoroethyl)propanamide;hydrochloride.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-[2-(4-methylphenyl)ethyl]-N-(2,2,2-trifluoroethyl)propanamide;hydrochloride
PubChem CID120611397
Molecular FormulaC20H24ClF3N2O
Molecular Weight400.87 g/mol
Exact Mass400.15
IUPAC Name3-(2-aminophenyl)-N-[2-(4-methylphenyl)ethyl]-N-(2,2,2-trifluoroethyl)propanamide;hydrochloride
SMILESCc1ccc(CCN(CC(F)(F)F)C(=O)CCc2ccccc2N)cc1.Cl
InChIInChI=1S/C20H23F3N2O.ClH/c1-15-6-8-16(9-7-15)12-13-25(14-20(21,22)23)19(26)11-10-17-4-2-3-5-18(17)24;/h2-9H,10-14,24H2,1H3;1H
InChIKeyUNAFABAFFYNPHK-UHFFFAOYSA-N
XLogP4.57
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.87
LogP ≤ 54.57
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

N-(2-aminoethyl)-3-(4-methylphenyl)-N-(2-phenylethyl)propanamide;hydrochloride
CID 120884337
N-(2-aminoethyl)-3-phenyl-N-(2,2,2-trifluoroethyl)propanamide
CID 107493544
3-amino-N-[2-(4-methylphenyl)ethyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 119805832
3-(2-aminophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide
CID 28713762
3-(2-aminophenyl)-N-ethyl-N-propylpropanamide
CID 43309247
3-(2-aminophenyl)-N-[2-(4-methylphenyl)ethyl]propanamide
CID 120610880
N-butyl-2-(4-methylphenyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 78866721
3-(2-chlorophenyl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)propanamide
CID 103915386
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(4-methylphenyl)ethyl]-N-(2,2,2-trifluoroethyl)acetamide;hydrochloride
CID 119805827
2-methyl-3-(methylamino)-N-[2-(4-methylphenyl)ethyl]-N-(2,2,2-trifluoroethyl)propanamide;hydrochloride
CID 119805829
3-(2-aminophenyl)-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide;hydrochloride
CID 120608876
3-[3-(2-aminophenyl)propanoyl-methylamino]propanoic acid
CID 107273041

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-[2-(4-methylphenyl)ethyl]-N-(2,2,2-trifluoroethyl)propanamide;hydrochloride?
The IUPAC name of 3-(2-aminophenyl)-N-[2-(4-methylphenyl)ethyl]-N-(2,2,2-trifluoroethyl)propanamide;hydrochloride (CID 120611397) is 3-(2-aminophenyl)-N-[2-(4-methylphenyl)ethyl]-N-(2,2,2-trifluoroethyl)propanamide;hydrochloride.
What is the SMILES notation for 3-(2-aminophenyl)-N-[2-(4-methylphenyl)ethyl]-N-(2,2,2-trifluoroethyl)propanamide;hydrochloride?
The canonical SMILES for 3-(2-aminophenyl)-N-[2-(4-methylphenyl)ethyl]-N-(2,2,2-trifluoroethyl)propanamide;hydrochloride is Cc1ccc(CCN(CC(F)(F)F)C(=O)CCc2ccccc2N)cc1.Cl.
What is the InChIKey of 3-(2-aminophenyl)-N-[2-(4-methylphenyl)ethyl]-N-(2,2,2-trifluoroethyl)propanamide;hydrochloride?
The InChIKey is UNAFABAFFYNPHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N2O.ClH/c1-15-6-8-16(9-7-15)12-13-25(14-20(21,22)23)19(26)11-10-17-4-2-3-5-18(17)24;/h2-9H,10-14,24H2,1H3;1H.
What are the key properties of 3-(2-aminophenyl)-N-[2-(4-methylphenyl)ethyl]-N-(2,2,2-trifluoroethyl)propanamide;hydrochloride?
3-(2-aminophenyl)-N-[2-(4-methylphenyl)ethyl]-N-(2,2,2-trifluoroethyl)propanamide;hydrochloride has a molecular weight of 400.87 g/mol, XLogP of 4.57, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-N-[2-(4-methylphenyl)ethyl]-N-(2,2,2-trifluoroethyl)propanamide;hydrochloride is sourced from PubChem (CID 120611397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).