2-(3-bromophenoxy)-N-[2-(methylamino)ethyl]acetamide;hydrochloride

C11H16BrClN2O2 — CID 119502782

IUPAC2-(3-bromophenoxy)-N-[2-(methylamino)ethyl]acetamide;hydrochloride
SMILESCNCCNC(=O)COc1cccc(Br)c1.Cl
InChIInChI=1S/C11H15BrN2O2.ClH/c1-13-5-6-14-11(15)8-16-10-4-2-3-9(12)7-10;/h2-4,7,13H,5-6,8H2,1H3,(H,14,15);1H
InChIKeyMMNVYLGFKOEVEG-UHFFFAOYSA-N
MW323.62 g/mol
LogP1.59
Rot. Bonds6

About 2-(3-bromophenoxy)-N-[2-(methylamino)ethyl]acetamide;hydrochloride

2-(3-bromophenoxy)-N-[2-(methylamino)ethyl]acetamide;hydrochloride (PubChem CID 119502782) has the molecular formula C11H16BrClN2O2 and a molecular weight of 323.62 g/mol. Its IUPAC name is 2-(3-bromophenoxy)-N-[2-(methylamino)ethyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(3-bromophenoxy)-N-[2-(methylamino)ethyl]acetamide;hydrochloride
PubChem CID119502782
Molecular FormulaC11H16BrClN2O2
Molecular Weight323.62 g/mol
Exact Mass322.01
IUPAC Name2-(3-bromophenoxy)-N-[2-(methylamino)ethyl]acetamide;hydrochloride
SMILESCNCCNC(=O)COc1cccc(Br)c1.Cl
InChIInChI=1S/C11H15BrN2O2.ClH/c1-13-5-6-14-11(15)8-16-10-4-2-3-9(12)7-10;/h2-4,7,13H,5-6,8H2,1H3,(H,14,15);1H
InChIKeyMMNVYLGFKOEVEG-UHFFFAOYSA-N
XLogP1.59
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.62
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[[2-(3-bromophenoxy)acetyl]amino]ethyl]-2-methylpropanamide
CID 30764659
N-[2-(3-bromophenoxy)ethyl]-4-(methylamino)butanamide;hydrochloride
CID 119746365
2-(3-bromophenoxy)-N-[2-[di(propan-2-yl)amino]ethyl]acetamide
CID 8919159
2-(3-bromophenoxy)-N-(2-hydroxy-2-methylpropyl)acetamide
CID 65110128
2-(3-bromophenoxy)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 7935362
2-(3-bromophenoxy)-N-methoxyacetamide
CID 60700558
N-(3-amino-2-methylpropyl)-2-(3-bromophenoxy)acetamide;hydrochloride
CID 119997634
2-(3-bromophenoxy)-N-(2-hydroxybutyl)acetamide
CID 115577661
2-(3-bromophenoxy)-N-[3-(N-methylanilino)propyl]acetamide
CID 8802905
N-[4-(3-bromophenoxy)but-2-ynyl]-2-(4-ethoxyphenoxy)acetamide
CID 90576513
3-(3-bromophenyl)-N-[2-(methylamino)ethyl]propanamide
CID 119502303
2-(3-bromophenoxy)-N-(2,3-dihydroxypropyl)acetamide
CID 66174959

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenoxy)-N-[2-(methylamino)ethyl]acetamide;hydrochloride?
The IUPAC name of 2-(3-bromophenoxy)-N-[2-(methylamino)ethyl]acetamide;hydrochloride (CID 119502782) is 2-(3-bromophenoxy)-N-[2-(methylamino)ethyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(3-bromophenoxy)-N-[2-(methylamino)ethyl]acetamide;hydrochloride?
The canonical SMILES for 2-(3-bromophenoxy)-N-[2-(methylamino)ethyl]acetamide;hydrochloride is CNCCNC(=O)COc1cccc(Br)c1.Cl.
What is the InChIKey of 2-(3-bromophenoxy)-N-[2-(methylamino)ethyl]acetamide;hydrochloride?
The InChIKey is MMNVYLGFKOEVEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O2.ClH/c1-13-5-6-14-11(15)8-16-10-4-2-3-9(12)7-10;/h2-4,7,13H,5-6,8H2,1H3,(H,14,15);1H.
What are the key properties of 2-(3-bromophenoxy)-N-[2-(methylamino)ethyl]acetamide;hydrochloride?
2-(3-bromophenoxy)-N-[2-(methylamino)ethyl]acetamide;hydrochloride has a molecular weight of 323.62 g/mol, XLogP of 1.59, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenoxy)-N-[2-(methylamino)ethyl]acetamide;hydrochloride is sourced from PubChem (CID 119502782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).