N-[(2S)-1-aminopropan-2-yl]-2-(2-fluorophenyl)acetamide;hydrochloride

C11H16ClFN2O — CID 120506125

IUPACN-[(2S)-1-aminopropan-2-yl]-2-(2-fluorophenyl)acetamide;hydrochloride
SMILESC[C@@H](CN)NC(=O)Cc1ccccc1F.Cl
InChIInChI=1S/C11H15FN2O.ClH/c1-8(7-13)14-11(15)6-9-4-2-3-5-10(9)12;/h2-5,8H,6-7,13H2,1H3,(H,14,15);1H/t8-;/m0./s1
InChIKeyXRJVSOBZTUSJLT-QRPNPIFTSA-N
MW246.71 g/mol
LogP1.25
Rot. Bonds4

About N-[(2S)-1-aminopropan-2-yl]-2-(2-fluorophenyl)acetamide;hydrochloride

N-[(2S)-1-aminopropan-2-yl]-2-(2-fluorophenyl)acetamide;hydrochloride (PubChem CID 120506125) has the molecular formula C11H16ClFN2O and a molecular weight of 246.71 g/mol. Its IUPAC name is N-[(2S)-1-aminopropan-2-yl]-2-(2-fluorophenyl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[(2S)-1-aminopropan-2-yl]-2-(2-fluorophenyl)acetamide;hydrochloride
PubChem CID120506125
Molecular FormulaC11H16ClFN2O
Molecular Weight246.71 g/mol
Exact Mass246.09
IUPAC NameN-[(2S)-1-aminopropan-2-yl]-2-(2-fluorophenyl)acetamide;hydrochloride
SMILESC[C@@H](CN)NC(=O)Cc1ccccc1F.Cl
InChIInChI=1S/C11H15FN2O.ClH/c1-8(7-13)14-11(15)6-9-4-2-3-5-10(9)12;/h2-5,8H,6-7,13H2,1H3,(H,14,15);1H/t8-;/m0./s1
InChIKeyXRJVSOBZTUSJLT-QRPNPIFTSA-N
XLogP1.25
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.71
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-aminobutan-2-yl)-2-(2-fluorophenyl)acetamide
CID 62093310
N-(1-aminopropan-2-yl)-3-(2-fluorophenyl)propanamide
CID 110833187
N-[(2R)-butan-2-yl]-2-(2-fluorophenyl)acetamide
CID 94102090
N-[(2S)-1-aminopropan-2-yl]-2-(2,5-difluorophenyl)acetamide;hydrochloride
CID 120507911
2-amino-N-[1-(2-fluorophenyl)propan-2-yl]acetamide;hydrochloride
CID 119289007
2-(2-fluorophenyl)-N-(3-methylbutan-2-yl)acetamide
CID 78799919
N-(5-bromopentan-2-yl)-2-(2-fluorophenyl)acetamide
CID 114316527
N-[(2S)-1-aminopropan-2-yl]-2-(2-chloro-6-fluorophenyl)acetamide;hydrochloride
CID 120505968
(2R)-2-[[2-(2-fluorophenyl)acetyl]amino]propanoic acid
CID 30120740
N-[(2S)-1-aminopropan-2-yl]-2-(4-fluorophenyl)acetamide;hydrochloride
CID 120506260
N-(3-amino-2-methylpropyl)-2-(2-fluorophenyl)acetamide
CID 62666475
N-(2-amino-1-phenylethyl)-2-(2-fluorophenyl)acetamide
CID 63754506

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-aminopropan-2-yl]-2-(2-fluorophenyl)acetamide;hydrochloride?
The IUPAC name of N-[(2S)-1-aminopropan-2-yl]-2-(2-fluorophenyl)acetamide;hydrochloride (CID 120506125) is N-[(2S)-1-aminopropan-2-yl]-2-(2-fluorophenyl)acetamide;hydrochloride.
What is the SMILES notation for N-[(2S)-1-aminopropan-2-yl]-2-(2-fluorophenyl)acetamide;hydrochloride?
The canonical SMILES for N-[(2S)-1-aminopropan-2-yl]-2-(2-fluorophenyl)acetamide;hydrochloride is C[C@@H](CN)NC(=O)Cc1ccccc1F.Cl.
What is the InChIKey of N-[(2S)-1-aminopropan-2-yl]-2-(2-fluorophenyl)acetamide;hydrochloride?
The InChIKey is XRJVSOBZTUSJLT-QRPNPIFTSA-N. The full InChI is InChI=1S/C11H15FN2O.ClH/c1-8(7-13)14-11(15)6-9-4-2-3-5-10(9)12;/h2-5,8H,6-7,13H2,1H3,(H,14,15);1H/t8-;/m0./s1.
What are the key properties of N-[(2S)-1-aminopropan-2-yl]-2-(2-fluorophenyl)acetamide;hydrochloride?
N-[(2S)-1-aminopropan-2-yl]-2-(2-fluorophenyl)acetamide;hydrochloride has a molecular weight of 246.71 g/mol, XLogP of 1.25, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-aminopropan-2-yl]-2-(2-fluorophenyl)acetamide;hydrochloride is sourced from PubChem (CID 120506125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).