N-(1-amino-2-methylpropan-2-yl)-2-(2,4,5-trichlorophenoxy)acetamide;hydrochloride

C12H16Cl4N2O2 — CID 119524297

IUPACN-(1-amino-2-methylpropan-2-yl)-2-(2,4,5-trichlorophenoxy)acetamide;hydrochloride
SMILESCC(C)(CN)NC(=O)COc1cc(Cl)c(Cl)cc1Cl.Cl
InChIInChI=1S/C12H15Cl3N2O2.ClH/c1-12(2,6-16)17-11(18)5-19-10-4-8(14)7(13)3-9(10)15;/h3-4H,5-6,16H2,1-2H3,(H,17,18);1H
InChIKeyYRYBBSHCHPGFEV-UHFFFAOYSA-N
MW362.08 g/mol
LogP3.30
Rot. Bonds5

About N-(1-amino-2-methylpropan-2-yl)-2-(2,4,5-trichlorophenoxy)acetamide;hydrochloride

N-(1-amino-2-methylpropan-2-yl)-2-(2,4,5-trichlorophenoxy)acetamide;hydrochloride (PubChem CID 119524297) has the molecular formula C12H16Cl4N2O2 and a molecular weight of 362.08 g/mol. Its IUPAC name is N-(1-amino-2-methylpropan-2-yl)-2-(2,4,5-trichlorophenoxy)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2-methylpropan-2-yl)-2-(2,4,5-trichlorophenoxy)acetamide;hydrochloride
PubChem CID119524297
Molecular FormulaC12H16Cl4N2O2
Molecular Weight362.08 g/mol
Exact Mass360.00
IUPAC NameN-(1-amino-2-methylpropan-2-yl)-2-(2,4,5-trichlorophenoxy)acetamide;hydrochloride
SMILESCC(C)(CN)NC(=O)COc1cc(Cl)c(Cl)cc1Cl.Cl
InChIInChI=1S/C12H15Cl3N2O2.ClH/c1-12(2,6-16)17-11(18)5-19-10-4-8(14)7(13)3-9(10)15;/h3-4H,5-6,16H2,1-2H3,(H,17,18);1H
InChIKeyYRYBBSHCHPGFEV-UHFFFAOYSA-N
XLogP3.30
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.08
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-(1-amino-2-methylpropan-2-yl)-2-(2-chlorophenoxy)acetamide;hydrochloride
CID 119523302
[2-(tert-butylamino)-2-oxoethyl] 2-(2,4,5-trichlorophenoxy)acetate
CID 8785732
N-(1-amino-2-methylpropan-2-yl)-2-(3-chloro-2-methylphenoxy)acetamide
CID 119524681
N-[(2S)-1-aminopropan-2-yl]-2-(2,4,5-trichlorophenoxy)acetamide;hydrochloride
CID 120509155
N-(1-amino-2-methylpropan-2-yl)-2-(2-ethylphenoxy)acetamide;hydrochloride
CID 119521833
N-(1-amino-2-methylpropan-2-yl)-2-(2-ethoxyphenoxy)acetamide
CID 119522316
N-(1-amino-2-methylpropan-2-yl)-2-(2-methylphenoxy)acetamide
CID 110834301
2-(2-chloro-5-methylphenoxy)-N-(2-methylbutan-2-yl)acetamide
CID 78770055
N-(1-amino-2-methylpropan-2-yl)-2-(2-tert-butylphenoxy)acetamide
CID 119523420
2-(2,4,5-trichlorophenoxy)-N-(2,2,2-trifluoroethoxy)acetamide
CID 81340218
N-(4-hydroxy-2,2-dimethylbutyl)-2-(2,4,5-trichlorophenoxy)acetamide
CID 103772604
N-(1-amino-2-methylpropan-2-yl)-2-(4-bromo-2-fluorophenoxy)acetamide
CID 119523767

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylpropan-2-yl)-2-(2,4,5-trichlorophenoxy)acetamide;hydrochloride?
The IUPAC name of N-(1-amino-2-methylpropan-2-yl)-2-(2,4,5-trichlorophenoxy)acetamide;hydrochloride (CID 119524297) is N-(1-amino-2-methylpropan-2-yl)-2-(2,4,5-trichlorophenoxy)acetamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2-methylpropan-2-yl)-2-(2,4,5-trichlorophenoxy)acetamide;hydrochloride?
The canonical SMILES for N-(1-amino-2-methylpropan-2-yl)-2-(2,4,5-trichlorophenoxy)acetamide;hydrochloride is CC(C)(CN)NC(=O)COc1cc(Cl)c(Cl)cc1Cl.Cl.
What is the InChIKey of N-(1-amino-2-methylpropan-2-yl)-2-(2,4,5-trichlorophenoxy)acetamide;hydrochloride?
The InChIKey is YRYBBSHCHPGFEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl3N2O2.ClH/c1-12(2,6-16)17-11(18)5-19-10-4-8(14)7(13)3-9(10)15;/h3-4H,5-6,16H2,1-2H3,(H,17,18);1H.
What are the key properties of N-(1-amino-2-methylpropan-2-yl)-2-(2,4,5-trichlorophenoxy)acetamide;hydrochloride?
N-(1-amino-2-methylpropan-2-yl)-2-(2,4,5-trichlorophenoxy)acetamide;hydrochloride has a molecular weight of 362.08 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylpropan-2-yl)-2-(2,4,5-trichlorophenoxy)acetamide;hydrochloride is sourced from PubChem (CID 119524297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).