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

C18H20ClF3N2O2 — CID 119529030

IUPACN-(2-amino-2-phenylethyl)-3-[4-(trifluoromethoxy)phenyl]propanamide;hydrochloride
SMILESCl.NC(CNC(=O)CCc1ccc(OC(F)(F)F)cc1)c1ccccc1
InChIInChI=1S/C18H19F3N2O2.ClH/c19-18(20,21)25-15-9-6-13(7-10-15)8-11-17(24)23-12-16(22)14-4-2-1-3-5-14;/h1-7,9-10,16H,8,11-12,22H2,(H,23,24);1H
InChIKeyXJLGTAIISBIXIR-UHFFFAOYSA-N
MW388.82 g/mol
LogP3.76
Rot. Bonds7

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

N-(2-amino-2-phenylethyl)-3-[4-(trifluoromethoxy)phenyl]propanamide;hydrochloride (PubChem CID 119529030) has the molecular formula C18H20ClF3N2O2 and a molecular weight of 388.82 g/mol. Its IUPAC name is N-(2-amino-2-phenylethyl)-3-[4-(trifluoromethoxy)phenyl]propanamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-phenylethyl)-3-[4-(trifluoromethoxy)phenyl]propanamide;hydrochloride
PubChem CID119529030
Molecular FormulaC18H20ClF3N2O2
Molecular Weight388.82 g/mol
Exact Mass388.12
IUPAC NameN-(2-amino-2-phenylethyl)-3-[4-(trifluoromethoxy)phenyl]propanamide;hydrochloride
SMILESCl.NC(CNC(=O)CCc1ccc(OC(F)(F)F)cc1)c1ccccc1
InChIInChI=1S/C18H19F3N2O2.ClH/c19-18(20,21)25-15-9-6-13(7-10-15)8-11-17(24)23-12-16(22)14-4-2-1-3-5-14;/h1-7,9-10,16H,8,11-12,22H2,(H,23,24);1H
InChIKeyXJLGTAIISBIXIR-UHFFFAOYSA-N
XLogP3.76
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.82
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-phenylethyl)-3-[2-(trifluoromethoxy)phenyl]propanamide;hydrochloride
CID 119529048
N-(2-amino-2-phenylethyl)-3-[4-(methylsulfamoyl)phenyl]propanamide;hydrochloride
CID 119529188
3-[3-[4-(trifluoromethoxy)phenyl]propanoylamino]propanoic acid
CID 119177395
3-amino-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]propanamide;hydrochloride
CID 119288366
N-(2-amino-2-phenylethyl)-4,4-dimethylpentanamide
CID 119529676
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-(4-fluorophenyl)propanamide;hydrochloride
CID 119525264
N-(2-amino-2-phenylethyl)-5-(4-methylphenyl)pentanamide
CID 119527817
(2S)-2-amino-3-phenyl-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]propanamide;hydrochloride
CID 119288372
N-(2-amino-2-phenylethyl)-4-(4-fluorophenoxy)butanamide
CID 119528074
benzyl 3-[4-(trifluoromethoxy)phenyl]propanoate
CID 145346373
N-(2-amino-2-phenylethyl)-2-(4-ethoxyphenoxy)acetamide;hydrochloride
CID 119528609
N-(3-amino-3-phenylpropyl)-3-phenylpropanamide
CID 80505663

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-phenylethyl)-3-[4-(trifluoromethoxy)phenyl]propanamide;hydrochloride?
The IUPAC name of N-(2-amino-2-phenylethyl)-3-[4-(trifluoromethoxy)phenyl]propanamide;hydrochloride (CID 119529030) is N-(2-amino-2-phenylethyl)-3-[4-(trifluoromethoxy)phenyl]propanamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-phenylethyl)-3-[4-(trifluoromethoxy)phenyl]propanamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-phenylethyl)-3-[4-(trifluoromethoxy)phenyl]propanamide;hydrochloride is Cl.NC(CNC(=O)CCc1ccc(OC(F)(F)F)cc1)c1ccccc1.
What is the InChIKey of N-(2-amino-2-phenylethyl)-3-[4-(trifluoromethoxy)phenyl]propanamide;hydrochloride?
The InChIKey is XJLGTAIISBIXIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O2.ClH/c19-18(20,21)25-15-9-6-13(7-10-15)8-11-17(24)23-12-16(22)14-4-2-1-3-5-14;/h1-7,9-10,16H,8,11-12,22H2,(H,23,24);1H.
What are the key properties of N-(2-amino-2-phenylethyl)-3-[4-(trifluoromethoxy)phenyl]propanamide;hydrochloride?
N-(2-amino-2-phenylethyl)-3-[4-(trifluoromethoxy)phenyl]propanamide;hydrochloride has a molecular weight of 388.82 g/mol, XLogP of 3.76, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-phenylethyl)-3-[4-(trifluoromethoxy)phenyl]propanamide;hydrochloride is sourced from PubChem (CID 119529030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).