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

C18H20ClF3N2O2 — CID 119529048

IUPACN-(2-amino-2-phenylethyl)-3-[2-(trifluoromethoxy)phenyl]propanamide;hydrochloride
SMILESCl.NC(CNC(=O)CCc1ccccc1OC(F)(F)F)c1ccccc1
InChIInChI=1S/C18H19F3N2O2.ClH/c19-18(20,21)25-16-9-5-4-8-14(16)10-11-17(24)23-12-15(22)13-6-2-1-3-7-13;/h1-9,15H,10-12,22H2,(H,23,24);1H
InChIKeyWFXBNODTOIBNLC-UHFFFAOYSA-N
MW388.82 g/mol
LogP3.76
Rot. Bonds7

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

N-(2-amino-2-phenylethyl)-3-[2-(trifluoromethoxy)phenyl]propanamide;hydrochloride (PubChem CID 119529048) has the molecular formula C18H20ClF3N2O2 and a molecular weight of 388.82 g/mol. Its IUPAC name is N-(2-amino-2-phenylethyl)-3-[2-(trifluoromethoxy)phenyl]propanamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-phenylethyl)-3-[2-(trifluoromethoxy)phenyl]propanamide;hydrochloride
PubChem CID119529048
Molecular FormulaC18H20ClF3N2O2
Molecular Weight388.82 g/mol
Exact Mass388.12
IUPAC NameN-(2-amino-2-phenylethyl)-3-[2-(trifluoromethoxy)phenyl]propanamide;hydrochloride
SMILESCl.NC(CNC(=O)CCc1ccccc1OC(F)(F)F)c1ccccc1
InChIInChI=1S/C18H19F3N2O2.ClH/c19-18(20,21)25-16-9-5-4-8-14(16)10-11-17(24)23-12-15(22)13-6-2-1-3-7-13;/h1-9,15H,10-12,22H2,(H,23,24);1H
InChIKeyWFXBNODTOIBNLC-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-[4-(trifluoromethoxy)phenyl]propanamide;hydrochloride
CID 119529030
benzyl (2S)-2-hydroxy-3-[3-[2-(trifluoromethoxy)phenyl]propanoylamino]propanoate
CID 97255894
4-[2-[3-[2-(trifluoromethoxy)phenyl]propanoylamino]ethyl]benzoic acid
CID 119168879
1,5-bis[2-(trifluoromethoxy)phenyl]pentan-3-one
CID 174483817
2-[2-[3-[2-(trifluoromethoxy)phenyl]propanoylamino]ethylsulfanyl]acetic acid
CID 119242544
3-amino-2-methyl-N-[2-[2-(trifluoromethoxy)phenyl]ethyl]butanamide;hydrochloride
CID 120502341
N-(2-amino-2-phenylethyl)-4,4-dimethylpentanamide
CID 119529676
N-[3-(aminomethyl)pentan-3-yl]-3-[2-(trifluoromethoxy)phenyl]propanamide
CID 119571159
N-(2-amino-2-phenylethyl)-2-ethoxyacetamide;hydrochloride
CID 119528845
N-(2-amino-2-phenylethyl)-2-propan-2-yloxyacetamide;hydrochloride
CID 119529017
N-(2-amino-2-phenylethyl)-2-(cyclopropylmethoxy)acetamide;hydrochloride
CID 119529587
N-(2-amino-2-phenylethyl)-5-methoxypentanamide;hydrochloride
CID 119528731

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-phenylethyl)-3-[2-(trifluoromethoxy)phenyl]propanamide;hydrochloride?
The IUPAC name of N-(2-amino-2-phenylethyl)-3-[2-(trifluoromethoxy)phenyl]propanamide;hydrochloride (CID 119529048) is N-(2-amino-2-phenylethyl)-3-[2-(trifluoromethoxy)phenyl]propanamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-phenylethyl)-3-[2-(trifluoromethoxy)phenyl]propanamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-phenylethyl)-3-[2-(trifluoromethoxy)phenyl]propanamide;hydrochloride is Cl.NC(CNC(=O)CCc1ccccc1OC(F)(F)F)c1ccccc1.
What is the InChIKey of N-(2-amino-2-phenylethyl)-3-[2-(trifluoromethoxy)phenyl]propanamide;hydrochloride?
The InChIKey is WFXBNODTOIBNLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O2.ClH/c19-18(20,21)25-16-9-5-4-8-14(16)10-11-17(24)23-12-15(22)13-6-2-1-3-7-13;/h1-9,15H,10-12,22H2,(H,23,24);1H.
What are the key properties of N-(2-amino-2-phenylethyl)-3-[2-(trifluoromethoxy)phenyl]propanamide;hydrochloride?
N-(2-amino-2-phenylethyl)-3-[2-(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-[2-(trifluoromethoxy)phenyl]propanamide;hydrochloride is sourced from PubChem (CID 119529048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).