N-[(2S)-1-aminopropan-2-yl]-2-(3,5-dichlorophenoxy)acetamide;hydrochloride

C11H15Cl3N2O2 — CID 120506340

IUPACN-[(2S)-1-aminopropan-2-yl]-2-(3,5-dichlorophenoxy)acetamide;hydrochloride
SMILESC[C@@H](CN)NC(=O)COc1cc(Cl)cc(Cl)c1.Cl
InChIInChI=1S/C11H14Cl2N2O2.ClH/c1-7(5-14)15-11(16)6-17-10-3-8(12)2-9(13)4-10;/h2-4,7H,5-6,14H2,1H3,(H,15,16);1H/t7-;/m0./s1
InChIKeyCOFKILHNSVVGLM-FJXQXJEOSA-N
MW313.61 g/mol
LogP2.26
Rot. Bonds5

About N-[(2S)-1-aminopropan-2-yl]-2-(3,5-dichlorophenoxy)acetamide;hydrochloride

N-[(2S)-1-aminopropan-2-yl]-2-(3,5-dichlorophenoxy)acetamide;hydrochloride (PubChem CID 120506340) has the molecular formula C11H15Cl3N2O2 and a molecular weight of 313.61 g/mol. Its IUPAC name is N-[(2S)-1-aminopropan-2-yl]-2-(3,5-dichlorophenoxy)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[(2S)-1-aminopropan-2-yl]-2-(3,5-dichlorophenoxy)acetamide;hydrochloride
PubChem CID120506340
Molecular FormulaC11H15Cl3N2O2
Molecular Weight313.61 g/mol
Exact Mass312.02
IUPAC NameN-[(2S)-1-aminopropan-2-yl]-2-(3,5-dichlorophenoxy)acetamide;hydrochloride
SMILESC[C@@H](CN)NC(=O)COc1cc(Cl)cc(Cl)c1.Cl
InChIInChI=1S/C11H14Cl2N2O2.ClH/c1-7(5-14)15-11(16)6-17-10-3-8(12)2-9(13)4-10;/h2-4,7H,5-6,14H2,1H3,(H,15,16);1H/t7-;/m0./s1
InChIKeyCOFKILHNSVVGLM-FJXQXJEOSA-N
XLogP2.26
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.61
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-1-aminopropan-2-yl]-2-(3-chlorophenoxy)acetamide
CID 104872802
2-(3,5-dichlorophenoxy)-N-propan-2-ylacetamide
CID 84603835
N-[(2S)-1-aminopropan-2-yl]-2-(2,4,5-trichlorophenoxy)acetamide;hydrochloride
CID 120509155
N-[(2S)-1-aminopropan-2-yl]-2-(3,4-dimethylphenoxy)acetamide;hydrochloride
CID 120507366
N-(1-aminopropan-2-yl)-2-phenoxyacetamide
CID 63732380
N-[(2S)-1-aminopropan-2-yl]-2-(2,4-dichlorophenoxy)acetamide
CID 120508613
N-(2-amino-1-cyclopropylethyl)-2-(3,5-dichlorophenoxy)acetamide
CID 119614628
N-(1-aminopropan-2-yl)-2-(4-methoxyphenoxy)acetamide
CID 110834177
2-(3,5-dichlorophenoxy)-N-(1-phenylethyl)acetamide
CID 18165800
N-(1-aminopropan-2-yl)-2-(3-methylphenoxy)acetamide
CID 110834120
N-(3-aminobutyl)-2-(3,5-dichlorophenoxy)acetamide;hydrochloride
CID 119496606
2-(3,5-dichlorophenoxy)-N-methylacetamide
CID 7848470

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-aminopropan-2-yl]-2-(3,5-dichlorophenoxy)acetamide;hydrochloride?
The IUPAC name of N-[(2S)-1-aminopropan-2-yl]-2-(3,5-dichlorophenoxy)acetamide;hydrochloride (CID 120506340) is N-[(2S)-1-aminopropan-2-yl]-2-(3,5-dichlorophenoxy)acetamide;hydrochloride.
What is the SMILES notation for N-[(2S)-1-aminopropan-2-yl]-2-(3,5-dichlorophenoxy)acetamide;hydrochloride?
The canonical SMILES for N-[(2S)-1-aminopropan-2-yl]-2-(3,5-dichlorophenoxy)acetamide;hydrochloride is C[C@@H](CN)NC(=O)COc1cc(Cl)cc(Cl)c1.Cl.
What is the InChIKey of N-[(2S)-1-aminopropan-2-yl]-2-(3,5-dichlorophenoxy)acetamide;hydrochloride?
The InChIKey is COFKILHNSVVGLM-FJXQXJEOSA-N. The full InChI is InChI=1S/C11H14Cl2N2O2.ClH/c1-7(5-14)15-11(16)6-17-10-3-8(12)2-9(13)4-10;/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-(3,5-dichlorophenoxy)acetamide;hydrochloride?
N-[(2S)-1-aminopropan-2-yl]-2-(3,5-dichlorophenoxy)acetamide;hydrochloride has a molecular weight of 313.61 g/mol, XLogP of 2.26, 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-(3,5-dichlorophenoxy)acetamide;hydrochloride is sourced from PubChem (CID 120506340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).