N-(2-amino-2-phenylethyl)-2-methyl-3-[4-(trifluoromethyl)phenyl]propanamide;hydrochloride

C19H22ClF3N2O — CID 119527909

IUPACN-(2-amino-2-phenylethyl)-2-methyl-3-[4-(trifluoromethyl)phenyl]propanamide;hydrochloride
SMILESCC(Cc1ccc(C(F)(F)F)cc1)C(=O)NCC(N)c1ccccc1.Cl
InChIInChI=1S/C19H21F3N2O.ClH/c1-13(11-14-7-9-16(10-8-14)19(20,21)22)18(25)24-12-17(23)15-5-3-2-4-6-15;/h2-10,13,17H,11-12,23H2,1H3,(H,24,25);1H
InChIKeyLIEVHRRXQZWNNU-UHFFFAOYSA-N
MW386.85 g/mol
LogP4.12
Rot. Bonds6

About N-(2-amino-2-phenylethyl)-2-methyl-3-[4-(trifluoromethyl)phenyl]propanamide;hydrochloride

N-(2-amino-2-phenylethyl)-2-methyl-3-[4-(trifluoromethyl)phenyl]propanamide;hydrochloride (PubChem CID 119527909) has the molecular formula C19H22ClF3N2O and a molecular weight of 386.85 g/mol. Its IUPAC name is N-(2-amino-2-phenylethyl)-2-methyl-3-[4-(trifluoromethyl)phenyl]propanamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-phenylethyl)-2-methyl-3-[4-(trifluoromethyl)phenyl]propanamide;hydrochloride
PubChem CID119527909
Molecular FormulaC19H22ClF3N2O
Molecular Weight386.85 g/mol
Exact Mass386.14
IUPAC NameN-(2-amino-2-phenylethyl)-2-methyl-3-[4-(trifluoromethyl)phenyl]propanamide;hydrochloride
SMILESCC(Cc1ccc(C(F)(F)F)cc1)C(=O)NCC(N)c1ccccc1.Cl
InChIInChI=1S/C19H21F3N2O.ClH/c1-13(11-14-7-9-16(10-8-14)19(20,21)22)18(25)24-12-17(23)15-5-3-2-4-6-15;/h2-10,13,17H,11-12,23H2,1H3,(H,24,25);1H
InChIKeyLIEVHRRXQZWNNU-UHFFFAOYSA-N
XLogP4.12
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.85
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-aminobutyl)-2-methyl-3-[4-(trifluoromethyl)phenyl]propanamide
CID 119495884
N-(2-amino-2-phenylethyl)-3-[4-(trifluoromethyl)phenyl]butanamide
CID 119528728
lithium;hydride;[[2-methyl-3-[4-(trifluoromethyl)phenyl]propanoyl]amino] benzoate
CID 174428956
2-methyl-1-phenyl-3-[4-(trifluoromethyl)phenyl]propan-1-one
CID 104845048
N-(2-amino-2-phenylethyl)-3-(2,4-dichlorophenyl)-2-methylpropanamide;hydrochloride
CID 119529441
2-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 102432449
(2S)-2-amino-3-phenyl-N-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]propanamide
CID 119294899
N-(2-amino-2-phenylethyl)-4-(2-fluorophenyl)-2-methylbutanamide
CID 119527902
N-(3-hydroxy-4-methylpentyl)-2-methyl-3-[4-(trifluoromethyl)phenyl]propanamide
CID 111461371
(2S)-2-amino-N-(2-amino-2-phenylethyl)-3,3-dimethylbutanamide
CID 122080430
N-(2-amino-2-phenylethyl)-2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide;dihydrochloride
CID 119529693
N-(2-amino-2-phenylethyl)-3-(4-fluorophenyl)sulfanyl-2-methylpropanamide
CID 119527961

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-phenylethyl)-2-methyl-3-[4-(trifluoromethyl)phenyl]propanamide;hydrochloride?
The IUPAC name of N-(2-amino-2-phenylethyl)-2-methyl-3-[4-(trifluoromethyl)phenyl]propanamide;hydrochloride (CID 119527909) is N-(2-amino-2-phenylethyl)-2-methyl-3-[4-(trifluoromethyl)phenyl]propanamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-phenylethyl)-2-methyl-3-[4-(trifluoromethyl)phenyl]propanamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-phenylethyl)-2-methyl-3-[4-(trifluoromethyl)phenyl]propanamide;hydrochloride is CC(Cc1ccc(C(F)(F)F)cc1)C(=O)NCC(N)c1ccccc1.Cl.
What is the InChIKey of N-(2-amino-2-phenylethyl)-2-methyl-3-[4-(trifluoromethyl)phenyl]propanamide;hydrochloride?
The InChIKey is LIEVHRRXQZWNNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N2O.ClH/c1-13(11-14-7-9-16(10-8-14)19(20,21)22)18(25)24-12-17(23)15-5-3-2-4-6-15;/h2-10,13,17H,11-12,23H2,1H3,(H,24,25);1H.
What are the key properties of N-(2-amino-2-phenylethyl)-2-methyl-3-[4-(trifluoromethyl)phenyl]propanamide;hydrochloride?
N-(2-amino-2-phenylethyl)-2-methyl-3-[4-(trifluoromethyl)phenyl]propanamide;hydrochloride has a molecular weight of 386.85 g/mol, XLogP of 4.12, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-phenylethyl)-2-methyl-3-[4-(trifluoromethyl)phenyl]propanamide;hydrochloride is sourced from PubChem (CID 119527909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).