2-amino-N-(2-fluorophenyl)-3-methylbutanamide;hydrochloride

C11H16ClFN2O — CID 119262319

IUPAC2-amino-N-(2-fluorophenyl)-3-methylbutanamide;hydrochloride
SMILESCC(C)C(N)C(=O)Nc1ccccc1F.Cl
InChIInChI=1S/C11H15FN2O.ClH/c1-7(2)10(13)11(15)14-9-6-4-3-5-8(9)12;/h3-7,10H,13H2,1-2H3,(H,14,15);1H
InChIKeySJNHCNUDEHLHGE-UHFFFAOYSA-N
MW246.71 g/mol
LogP2.17
Rot. Bonds3

About 2-amino-N-(2-fluorophenyl)-3-methylbutanamide;hydrochloride

2-amino-N-(2-fluorophenyl)-3-methylbutanamide;hydrochloride (PubChem CID 119262319) has the molecular formula C11H16ClFN2O and a molecular weight of 246.71 g/mol. Its IUPAC name is 2-amino-N-(2-fluorophenyl)-3-methylbutanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-(2-fluorophenyl)-3-methylbutanamide;hydrochloride
PubChem CID119262319
Molecular FormulaC11H16ClFN2O
Molecular Weight246.71 g/mol
Exact Mass246.09
IUPAC Name2-amino-N-(2-fluorophenyl)-3-methylbutanamide;hydrochloride
SMILESCC(C)C(N)C(=O)Nc1ccccc1F.Cl
InChIInChI=1S/C11H15FN2O.ClH/c1-7(2)10(13)11(15)14-9-6-4-3-5-8(9)12;/h3-7,10H,13H2,1-2H3,(H,14,15);1H
InChIKeySJNHCNUDEHLHGE-UHFFFAOYSA-N
XLogP2.17
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.71
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-(2,3-difluorophenyl)-3-methylbutanamide;hydrochloride
CID 119280847
2-amino-N-(2-fluorophenyl)propanamide;hydrochloride
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2-amino-N-(2-fluorophenyl)propanamide
CID 24707617
2-amino-N-(2-fluorophenyl)-3-methylpentanamide
CID 24698442
2-amino-N-(2-tert-butylphenyl)-3-methylbutanamide
CID 43702617
2-amino-3-methyl-N-phenylbutanamide;hydrochloride
CID 53409039
2-amino-N-[2-(difluoromethoxy)phenyl]-3-methylbutanamide
CID 43146665
[1-(2-fluoroanilino)-1-oxopropan-2-yl] 2-methylpropanoate
CID 46790194
2-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]-3-methylbutanamide
CID 63037220
2-amino-N-(2-ethylsulfanylphenyl)-3-methylbutanamide
CID 54862879
(2S)-2-amino-3-methyl-N-(2-phenylsulfanylphenyl)butanamide
CID 61254196
2-amino-N-[2-(methoxymethyl)phenyl]-3-methylbutanamide
CID 43700969

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-fluorophenyl)-3-methylbutanamide;hydrochloride?
The IUPAC name of 2-amino-N-(2-fluorophenyl)-3-methylbutanamide;hydrochloride (CID 119262319) is 2-amino-N-(2-fluorophenyl)-3-methylbutanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-(2-fluorophenyl)-3-methylbutanamide;hydrochloride?
The canonical SMILES for 2-amino-N-(2-fluorophenyl)-3-methylbutanamide;hydrochloride is CC(C)C(N)C(=O)Nc1ccccc1F.Cl.
What is the InChIKey of 2-amino-N-(2-fluorophenyl)-3-methylbutanamide;hydrochloride?
The InChIKey is SJNHCNUDEHLHGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O.ClH/c1-7(2)10(13)11(15)14-9-6-4-3-5-8(9)12;/h3-7,10H,13H2,1-2H3,(H,14,15);1H.
What are the key properties of 2-amino-N-(2-fluorophenyl)-3-methylbutanamide;hydrochloride?
2-amino-N-(2-fluorophenyl)-3-methylbutanamide;hydrochloride has a molecular weight of 246.71 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-fluorophenyl)-3-methylbutanamide;hydrochloride is sourced from PubChem (CID 119262319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).