N-(3-aminobutyl)-2-(3,5-dichlorophenoxy)acetamide;hydrochloride

C12H17Cl3N2O2 — CID 119496606

IUPACN-(3-aminobutyl)-2-(3,5-dichlorophenoxy)acetamide;hydrochloride
SMILESCC(N)CCNC(=O)COc1cc(Cl)cc(Cl)c1.Cl
InChIInChI=1S/C12H16Cl2N2O2.ClH/c1-8(15)2-3-16-12(17)7-18-11-5-9(13)4-10(14)6-11;/h4-6,8H,2-3,7,15H2,1H3,(H,16,17);1H
InChIKeyXUKAIBOAXQZNKB-UHFFFAOYSA-N
MW327.64 g/mol
LogP2.65
Rot. Bonds6

About N-(3-aminobutyl)-2-(3,5-dichlorophenoxy)acetamide;hydrochloride

N-(3-aminobutyl)-2-(3,5-dichlorophenoxy)acetamide;hydrochloride (PubChem CID 119496606) has the molecular formula C12H17Cl3N2O2 and a molecular weight of 327.64 g/mol. Its IUPAC name is N-(3-aminobutyl)-2-(3,5-dichlorophenoxy)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminobutyl)-2-(3,5-dichlorophenoxy)acetamide;hydrochloride
PubChem CID119496606
Molecular FormulaC12H17Cl3N2O2
Molecular Weight327.64 g/mol
Exact Mass326.04
IUPAC NameN-(3-aminobutyl)-2-(3,5-dichlorophenoxy)acetamide;hydrochloride
SMILESCC(N)CCNC(=O)COc1cc(Cl)cc(Cl)c1.Cl
InChIInChI=1S/C12H16Cl2N2O2.ClH/c1-8(15)2-3-16-12(17)7-18-11-5-9(13)4-10(14)6-11;/h4-6,8H,2-3,7,15H2,1H3,(H,16,17);1H
InChIKeyXUKAIBOAXQZNKB-UHFFFAOYSA-N
XLogP2.65
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.64
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminobutyl)-2-(4-chlorophenoxy)acetamide;hydrochloride
CID 119497323
N-(3-aminobutyl)-2-(4-chloro-3-methylphenoxy)acetamide;hydrochloride
CID 119497344
N-(3-aminobutyl)-2-(3-methylphenoxy)acetamide;hydrochloride
CID 119497988
N-(3-aminobutyl)-2-[(2-phenoxyacetyl)amino]acetamide
CID 119497991
2-(3,5-dichlorophenoxy)-N-propan-2-ylacetamide
CID 84603835
N-[(2S)-1-aminopropan-2-yl]-2-(3,5-dichlorophenoxy)acetamide;hydrochloride
CID 120506340
N-(2-amino-2-ethylbutyl)-2-(3,5-dichlorophenoxy)acetamide;hydrochloride
CID 119641262
N-(3-aminobutyl)-3,5-dichlorobenzamide
CID 63253948
N-(3-aminobutyl)-2-(2,5-dimethylphenoxy)acetamide;hydrochloride
CID 119497986
N-(3-aminobutyl)-2-(2-methoxyphenoxy)acetamide;hydrochloride
CID 119494768
2-(3,5-dichlorophenoxy)-N-methylacetamide
CID 7848470
2-(3,5-dimethylphenoxy)-N-(3-methylbutyl)acetamide
CID 60624673

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-2-(3,5-dichlorophenoxy)acetamide;hydrochloride?
The IUPAC name of N-(3-aminobutyl)-2-(3,5-dichlorophenoxy)acetamide;hydrochloride (CID 119496606) is N-(3-aminobutyl)-2-(3,5-dichlorophenoxy)acetamide;hydrochloride.
What is the SMILES notation for N-(3-aminobutyl)-2-(3,5-dichlorophenoxy)acetamide;hydrochloride?
The canonical SMILES for N-(3-aminobutyl)-2-(3,5-dichlorophenoxy)acetamide;hydrochloride is CC(N)CCNC(=O)COc1cc(Cl)cc(Cl)c1.Cl.
What is the InChIKey of N-(3-aminobutyl)-2-(3,5-dichlorophenoxy)acetamide;hydrochloride?
The InChIKey is XUKAIBOAXQZNKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2O2.ClH/c1-8(15)2-3-16-12(17)7-18-11-5-9(13)4-10(14)6-11;/h4-6,8H,2-3,7,15H2,1H3,(H,16,17);1H.
What are the key properties of N-(3-aminobutyl)-2-(3,5-dichlorophenoxy)acetamide;hydrochloride?
N-(3-aminobutyl)-2-(3,5-dichlorophenoxy)acetamide;hydrochloride has a molecular weight of 327.64 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-2-(3,5-dichlorophenoxy)acetamide;hydrochloride is sourced from PubChem (CID 119496606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).