2-amino-N-[1-(2-fluorophenyl)-2-phenylethyl]-3-methoxypropanamide;hydrochloride

C18H22ClFN2O2 — CID 120990602

IUPAC2-amino-N-[1-(2-fluorophenyl)-2-phenylethyl]-3-methoxypropanamide;hydrochloride
SMILESCOCC(N)C(=O)NC(Cc1ccccc1)c1ccccc1F.Cl
InChIInChI=1S/C18H21FN2O2.ClH/c1-23-12-16(20)18(22)21-17(11-13-7-3-2-4-8-13)14-9-5-6-10-15(14)19;/h2-10,16-17H,11-12,20H2,1H3,(H,21,22);1H
InChIKeyZUJAKBYLLYTADG-UHFFFAOYSA-N
MW352.84 g/mol
LogP2.62
Rot. Bonds7

About 2-amino-N-[1-(2-fluorophenyl)-2-phenylethyl]-3-methoxypropanamide;hydrochloride

2-amino-N-[1-(2-fluorophenyl)-2-phenylethyl]-3-methoxypropanamide;hydrochloride (PubChem CID 120990602) has the molecular formula C18H22ClFN2O2 and a molecular weight of 352.84 g/mol. Its IUPAC name is 2-amino-N-[1-(2-fluorophenyl)-2-phenylethyl]-3-methoxypropanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[1-(2-fluorophenyl)-2-phenylethyl]-3-methoxypropanamide;hydrochloride
PubChem CID120990602
Molecular FormulaC18H22ClFN2O2
Molecular Weight352.84 g/mol
Exact Mass352.14
IUPAC Name2-amino-N-[1-(2-fluorophenyl)-2-phenylethyl]-3-methoxypropanamide;hydrochloride
SMILESCOCC(N)C(=O)NC(Cc1ccccc1)c1ccccc1F.Cl
InChIInChI=1S/C18H21FN2O2.ClH/c1-23-12-16(20)18(22)21-17(11-13-7-3-2-4-8-13)14-9-5-6-10-15(14)19;/h2-10,16-17H,11-12,20H2,1H3,(H,21,22);1H
InChIKeyZUJAKBYLLYTADG-UHFFFAOYSA-N
XLogP2.62
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.84
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[(1R)-1-(2-fluorophenyl)ethyl]-3-phenylpropanamide
CID 81374394
(2S)-2-amino-N-[1-(2-fluorophenyl)ethyl]-3-phenylpropanamide
CID 61178322
2-amino-3-methoxy-N-(1-phenyl-2-phenylmethoxyethyl)propanamide;hydrochloride
CID 120990600
2-amino-N-(1-hydroxy-3-methoxypropan-2-yl)-3-phenylpropanamide
CID 114155862
(2R)-2-amino-N-(1-hydroxy-3-methoxypropan-2-yl)-3-phenylpropanamide
CID 114155842
2-amino-N-[1-(2,6-difluorophenyl)propan-2-yl]-3-methoxypropanamide
CID 81083554
2-amino-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-3-methoxypropanamide
CID 120983883
3-[[1-(2-fluorophenyl)-2-phenylethyl]carbamoyl-methylamino]propanoic acid
CID 122003284
2-amino-3-methoxy-N-[1-(2-methoxyphenyl)ethyl]propanamide
CID 81089691
2-amino-3-methoxy-N-[1-(2-methylphenyl)ethyl]propanamide;hydrochloride
CID 120983404
methyl 2-[(2-amino-3-phenylpropanoyl)amino]propanoate;hydrochloride
CID 119291012
2-amino-N-(1,2-diphenylethyl)pentanamide;hydrochloride
CID 119271471

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(2-fluorophenyl)-2-phenylethyl]-3-methoxypropanamide;hydrochloride?
The IUPAC name of 2-amino-N-[1-(2-fluorophenyl)-2-phenylethyl]-3-methoxypropanamide;hydrochloride (CID 120990602) is 2-amino-N-[1-(2-fluorophenyl)-2-phenylethyl]-3-methoxypropanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[1-(2-fluorophenyl)-2-phenylethyl]-3-methoxypropanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[1-(2-fluorophenyl)-2-phenylethyl]-3-methoxypropanamide;hydrochloride is COCC(N)C(=O)NC(Cc1ccccc1)c1ccccc1F.Cl.
What is the InChIKey of 2-amino-N-[1-(2-fluorophenyl)-2-phenylethyl]-3-methoxypropanamide;hydrochloride?
The InChIKey is ZUJAKBYLLYTADG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O2.ClH/c1-23-12-16(20)18(22)21-17(11-13-7-3-2-4-8-13)14-9-5-6-10-15(14)19;/h2-10,16-17H,11-12,20H2,1H3,(H,21,22);1H.
What are the key properties of 2-amino-N-[1-(2-fluorophenyl)-2-phenylethyl]-3-methoxypropanamide;hydrochloride?
2-amino-N-[1-(2-fluorophenyl)-2-phenylethyl]-3-methoxypropanamide;hydrochloride has a molecular weight of 352.84 g/mol, XLogP of 2.62, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(2-fluorophenyl)-2-phenylethyl]-3-methoxypropanamide;hydrochloride is sourced from PubChem (CID 120990602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).