3-amino-2-methyl-3-phenyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]propanamide;hydrochloride

C18H20ClF3N2O2 — CID 119700402

IUPAC3-amino-2-methyl-3-phenyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]propanamide;hydrochloride
SMILESCC(C(=O)Nc1ccccc1OCC(F)(F)F)C(N)c1ccccc1.Cl
InChIInChI=1S/C18H19F3N2O2.ClH/c1-12(16(22)13-7-3-2-4-8-13)17(24)23-14-9-5-6-10-15(14)25-11-18(19,20)21;/h2-10,12,16H,11,22H2,1H3,(H,23,24);1H
InChIKeyJGVXVWNTHCNYSJ-UHFFFAOYSA-N
MW388.82 g/mol
LogP4.32
Rot. Bonds6

About 3-amino-2-methyl-3-phenyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]propanamide;hydrochloride

3-amino-2-methyl-3-phenyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]propanamide;hydrochloride (PubChem CID 119700402) has the molecular formula C18H20ClF3N2O2 and a molecular weight of 388.82 g/mol. Its IUPAC name is 3-amino-2-methyl-3-phenyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]propanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-2-methyl-3-phenyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]propanamide;hydrochloride
PubChem CID119700402
Molecular FormulaC18H20ClF3N2O2
Molecular Weight388.82 g/mol
Exact Mass388.12
IUPAC Name3-amino-2-methyl-3-phenyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]propanamide;hydrochloride
SMILESCC(C(=O)Nc1ccccc1OCC(F)(F)F)C(N)c1ccccc1.Cl
InChIInChI=1S/C18H19F3N2O2.ClH/c1-12(16(22)13-7-3-2-4-8-13)17(24)23-14-9-5-6-10-15(14)25-11-18(19,20)21;/h2-10,12,16H,11,22H2,1H3,(H,23,24);1H
InChIKeyJGVXVWNTHCNYSJ-UHFFFAOYSA-N
XLogP4.32
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.82
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-2-methyl-3-phenylpropanamide
CID 119702544
2-methoxy-N-[2-(2,2,2-trifluoroethoxy)phenyl]propanamide
CID 112685720
(2S)-2-amino-N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]propanamide
CID 119315205
3-amino-2-methyl-3-phenyl-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]propanamide;hydrochloride
CID 119712578
3-amino-N-[2-(2-methoxyethoxy)-4-methylphenyl]-2-methyl-3-phenylpropanamide;hydrochloride
CID 119726873
3-amino-N-(2-ethoxy-5-methoxyphenyl)-2-methyl-3-phenylpropanamide;hydrochloride
CID 119774050
3-amino-2-methyl-N-(2-methylsulfanylphenyl)-3-phenylpropanamide
CID 80546722
methyl 2-[2-(2,2,2-trifluoroethoxy)anilino]propanoate
CID 66174109
(2S)-2-amino-N-[2-(2,2-difluoroethoxy)phenyl]propanamide;hydrochloride
CID 119341255
3-amino-2-methyl-3-phenyl-N-(2-propylphenyl)propanamide
CID 119705368
4-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-3-ethoxy-N,N-dimethylbenzamide;hydrochloride
CID 119812590
2-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-N-ethylbenzamide;hydrochloride
CID 119714085

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-3-phenyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]propanamide;hydrochloride?
The IUPAC name of 3-amino-2-methyl-3-phenyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]propanamide;hydrochloride (CID 119700402) is 3-amino-2-methyl-3-phenyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]propanamide;hydrochloride.
What is the SMILES notation for 3-amino-2-methyl-3-phenyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]propanamide;hydrochloride?
The canonical SMILES for 3-amino-2-methyl-3-phenyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]propanamide;hydrochloride is CC(C(=O)Nc1ccccc1OCC(F)(F)F)C(N)c1ccccc1.Cl.
What is the InChIKey of 3-amino-2-methyl-3-phenyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]propanamide;hydrochloride?
The InChIKey is JGVXVWNTHCNYSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O2.ClH/c1-12(16(22)13-7-3-2-4-8-13)17(24)23-14-9-5-6-10-15(14)25-11-18(19,20)21;/h2-10,12,16H,11,22H2,1H3,(H,23,24);1H.
What are the key properties of 3-amino-2-methyl-3-phenyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]propanamide;hydrochloride?
3-amino-2-methyl-3-phenyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]propanamide;hydrochloride has a molecular weight of 388.82 g/mol, XLogP of 4.32, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-3-phenyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]propanamide;hydrochloride is sourced from PubChem (CID 119700402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).