N-[(2S)-1-aminopropan-2-yl]-2-(2,4-difluorophenoxy)acetamide;hydrochloride

C11H15ClF2N2O2 — CID 120507855

IUPACN-[(2S)-1-aminopropan-2-yl]-2-(2,4-difluorophenoxy)acetamide;hydrochloride
SMILESC[C@@H](CN)NC(=O)COc1ccc(F)cc1F.Cl
InChIInChI=1S/C11H14F2N2O2.ClH/c1-7(5-14)15-11(16)6-17-10-3-2-8(12)4-9(10)13;/h2-4,7H,5-6,14H2,1H3,(H,15,16);1H/t7-;/m0./s1
InChIKeySSTZFBLJDUSOPU-FJXQXJEOSA-N
MW280.70 g/mol
LogP1.23
Rot. Bonds5

About N-[(2S)-1-aminopropan-2-yl]-2-(2,4-difluorophenoxy)acetamide;hydrochloride

N-[(2S)-1-aminopropan-2-yl]-2-(2,4-difluorophenoxy)acetamide;hydrochloride (PubChem CID 120507855) has the molecular formula C11H15ClF2N2O2 and a molecular weight of 280.70 g/mol. Its IUPAC name is N-[(2S)-1-aminopropan-2-yl]-2-(2,4-difluorophenoxy)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[(2S)-1-aminopropan-2-yl]-2-(2,4-difluorophenoxy)acetamide;hydrochloride
PubChem CID120507855
Molecular FormulaC11H15ClF2N2O2
Molecular Weight280.70 g/mol
Exact Mass280.08
IUPAC NameN-[(2S)-1-aminopropan-2-yl]-2-(2,4-difluorophenoxy)acetamide;hydrochloride
SMILESC[C@@H](CN)NC(=O)COc1ccc(F)cc1F.Cl
InChIInChI=1S/C11H14F2N2O2.ClH/c1-7(5-14)15-11(16)6-17-10-3-2-8(12)4-9(10)13;/h2-4,7H,5-6,14H2,1H3,(H,15,16);1H/t7-;/m0./s1
InChIKeySSTZFBLJDUSOPU-FJXQXJEOSA-N
XLogP1.23
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.70
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[[2-(2,4-difluorophenoxy)acetyl]amino]-4-methylpentanoic acid
CID 78975765
N-[(2S)-1-aminopropan-2-yl]-2-(2,4-dichlorophenoxy)acetamide
CID 120508613
2-(2,4-difluorophenoxy)-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]acetamide
CID 72922137
2-(2,4-difluorophenoxy)-N'-methylacetohydrazide
CID 116820700
(2R)-2-[[2-(2,4-difluorophenoxy)acetyl]amino]-3-hydroxypropanoic acid
CID 80749171
2-[[2-(2,4-difluorophenoxy)acetyl]amino]-3-methoxypropanoic acid
CID 81077351
N-[(2S)-1-aminopropan-2-yl]-2-(2,5-difluorophenyl)acetamide;hydrochloride
CID 120507911
2-(2,4-difluorophenoxy)-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 31849974
2-(4-amino-2-fluorophenoxy)-N-(1-methoxypropan-2-yl)acetamide
CID 54957165
N-[(2S)-1-aminopropan-2-yl]-2-(2,4,5-trichlorophenoxy)acetamide;hydrochloride
CID 120509155
2-[4-(2-aminoethyl)-2-fluorophenoxy]-N-propan-2-ylacetamide
CID 107692678
methyl 2-(2,4-difluorophenoxy)acetate
CID 23434554

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-aminopropan-2-yl]-2-(2,4-difluorophenoxy)acetamide;hydrochloride?
The IUPAC name of N-[(2S)-1-aminopropan-2-yl]-2-(2,4-difluorophenoxy)acetamide;hydrochloride (CID 120507855) is N-[(2S)-1-aminopropan-2-yl]-2-(2,4-difluorophenoxy)acetamide;hydrochloride.
What is the SMILES notation for N-[(2S)-1-aminopropan-2-yl]-2-(2,4-difluorophenoxy)acetamide;hydrochloride?
The canonical SMILES for N-[(2S)-1-aminopropan-2-yl]-2-(2,4-difluorophenoxy)acetamide;hydrochloride is C[C@@H](CN)NC(=O)COc1ccc(F)cc1F.Cl.
What is the InChIKey of N-[(2S)-1-aminopropan-2-yl]-2-(2,4-difluorophenoxy)acetamide;hydrochloride?
The InChIKey is SSTZFBLJDUSOPU-FJXQXJEOSA-N. The full InChI is InChI=1S/C11H14F2N2O2.ClH/c1-7(5-14)15-11(16)6-17-10-3-2-8(12)4-9(10)13;/h2-4,7H,5-6,14H2,1H3,(H,15,16);1H/t7-;/m0./s1.
What are the key properties of N-[(2S)-1-aminopropan-2-yl]-2-(2,4-difluorophenoxy)acetamide;hydrochloride?
N-[(2S)-1-aminopropan-2-yl]-2-(2,4-difluorophenoxy)acetamide;hydrochloride has a molecular weight of 280.70 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-aminopropan-2-yl]-2-(2,4-difluorophenoxy)acetamide;hydrochloride is sourced from PubChem (CID 120507855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).