(2R)-N-(5-acetamido-2-fluorophenyl)-2-aminopropanamide;hydrochloride

C11H15ClFN3O2 — CID 119279500

IUPAC(2R)-N-(5-acetamido-2-fluorophenyl)-2-aminopropanamide;hydrochloride
SMILESCC(=O)Nc1ccc(F)c(NC(=O)[C@@H](C)N)c1.Cl
InChIInChI=1S/C11H14FN3O2.ClH/c1-6(13)11(17)15-10-5-8(14-7(2)16)3-4-9(10)12;/h3-6H,13H2,1-2H3,(H,14,16)(H,15,17);1H/t6-;/m1./s1
InChIKeyCFDVTVSUXRBSSN-FYZOBXCZSA-N
MW275.71 g/mol
LogP1.49
Rot. Bonds3

About (2R)-N-(5-acetamido-2-fluorophenyl)-2-aminopropanamide;hydrochloride

(2R)-N-(5-acetamido-2-fluorophenyl)-2-aminopropanamide;hydrochloride (PubChem CID 119279500) has the molecular formula C11H15ClFN3O2 and a molecular weight of 275.71 g/mol. Its IUPAC name is (2R)-N-(5-acetamido-2-fluorophenyl)-2-aminopropanamide;hydrochloride.

Molecular Properties

Compound Name(2R)-N-(5-acetamido-2-fluorophenyl)-2-aminopropanamide;hydrochloride
PubChem CID119279500
Molecular FormulaC11H15ClFN3O2
Molecular Weight275.71 g/mol
Exact Mass275.08
IUPAC Name(2R)-N-(5-acetamido-2-fluorophenyl)-2-aminopropanamide;hydrochloride
SMILESCC(=O)Nc1ccc(F)c(NC(=O)[C@@H](C)N)c1.Cl
InChIInChI=1S/C11H14FN3O2.ClH/c1-6(13)11(17)15-10-5-8(14-7(2)16)3-4-9(10)12;/h3-6H,13H2,1-2H3,(H,14,16)(H,15,17);1H/t6-;/m1./s1
InChIKeyCFDVTVSUXRBSSN-FYZOBXCZSA-N
XLogP1.49
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.71
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(5-acetamido-2-fluorophenyl)-2-amino-3,3-dimethylbutanamide
CID 103928590
N-(5-acetamido-2-fluorophenyl)-2-amino-3,3-dimethylbutanamide
CID 76893268
N-(5-acetamido-2-fluorophenyl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119705048
N-(5-acetamido-2-methoxyphenyl)-2-aminopropanamide;hydrochloride
CID 119266368
N-(4-acetamidophenyl)-2-aminopropanamide;hydrochloride
CID 119261426
N-(3-acetamido-4-fluorophenyl)-2-amino-3-methylpentanamide;hydrochloride
CID 119702845
(2S)-2-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]propanamide;hydrochloride
CID 119279745
(2S)-N-(2-acetamido-4,5-difluorophenyl)-2-aminopropanamide
CID 119308430
(2R)-N-[4-acetamido-2-(trifluoromethyl)phenyl]-2-aminopropanamide
CID 78973301
methyl 3-[[(2R)-2-aminopropanoyl]amino]-4-fluorobenzoate;hydrochloride
CID 119278003
N-(3-acetamido-4-fluorophenyl)-2,2-difluoroacetamide
CID 113220904
(2S)-2-amino-N-(4-fluoro-3-methylphenyl)propanamide
CID 62813030

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(5-acetamido-2-fluorophenyl)-2-aminopropanamide;hydrochloride?
The IUPAC name of (2R)-N-(5-acetamido-2-fluorophenyl)-2-aminopropanamide;hydrochloride (CID 119279500) is (2R)-N-(5-acetamido-2-fluorophenyl)-2-aminopropanamide;hydrochloride.
What is the SMILES notation for (2R)-N-(5-acetamido-2-fluorophenyl)-2-aminopropanamide;hydrochloride?
The canonical SMILES for (2R)-N-(5-acetamido-2-fluorophenyl)-2-aminopropanamide;hydrochloride is CC(=O)Nc1ccc(F)c(NC(=O)[C@@H](C)N)c1.Cl.
What is the InChIKey of (2R)-N-(5-acetamido-2-fluorophenyl)-2-aminopropanamide;hydrochloride?
The InChIKey is CFDVTVSUXRBSSN-FYZOBXCZSA-N. The full InChI is InChI=1S/C11H14FN3O2.ClH/c1-6(13)11(17)15-10-5-8(14-7(2)16)3-4-9(10)12;/h3-6H,13H2,1-2H3,(H,14,16)(H,15,17);1H/t6-;/m1./s1.
What are the key properties of (2R)-N-(5-acetamido-2-fluorophenyl)-2-aminopropanamide;hydrochloride?
(2R)-N-(5-acetamido-2-fluorophenyl)-2-aminopropanamide;hydrochloride has a molecular weight of 275.71 g/mol, XLogP of 1.49, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(5-acetamido-2-fluorophenyl)-2-aminopropanamide;hydrochloride is sourced from PubChem (CID 119279500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).