2-(5-bromo-2-methoxyphenyl)-N-[2-(ethylamino)ethyl]acetamide;hydrochloride

C13H20BrClN2O2 — CID 119506812

IUPAC2-(5-bromo-2-methoxyphenyl)-N-[2-(ethylamino)ethyl]acetamide;hydrochloride
SMILESCCNCCNC(=O)Cc1cc(Br)ccc1OC.Cl
InChIInChI=1S/C13H19BrN2O2.ClH/c1-3-15-6-7-16-13(17)9-10-8-11(14)4-5-12(10)18-2;/h4-5,8,15H,3,6-7,9H2,1-2H3,(H,16,17);1H
InChIKeyXRQFOQSJJREAEB-UHFFFAOYSA-N
MW351.67 g/mol
LogP2.15
Rot. Bonds7

About 2-(5-bromo-2-methoxyphenyl)-N-[2-(ethylamino)ethyl]acetamide;hydrochloride

2-(5-bromo-2-methoxyphenyl)-N-[2-(ethylamino)ethyl]acetamide;hydrochloride (PubChem CID 119506812) has the molecular formula C13H20BrClN2O2 and a molecular weight of 351.67 g/mol. Its IUPAC name is 2-(5-bromo-2-methoxyphenyl)-N-[2-(ethylamino)ethyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(5-bromo-2-methoxyphenyl)-N-[2-(ethylamino)ethyl]acetamide;hydrochloride
PubChem CID119506812
Molecular FormulaC13H20BrClN2O2
Molecular Weight351.67 g/mol
Exact Mass350.04
IUPAC Name2-(5-bromo-2-methoxyphenyl)-N-[2-(ethylamino)ethyl]acetamide;hydrochloride
SMILESCCNCCNC(=O)Cc1cc(Br)ccc1OC.Cl
InChIInChI=1S/C13H19BrN2O2.ClH/c1-3-15-6-7-16-13(17)9-10-8-11(14)4-5-12(10)18-2;/h4-5,8,15H,3,6-7,9H2,1-2H3,(H,16,17);1H
InChIKeyXRQFOQSJJREAEB-UHFFFAOYSA-N
XLogP2.15
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.67
LogP ≤ 52.15
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'-[(5-bromo-2-methoxyphenyl)methyl]-N-ethylethane-1,2-diamine
CID 115205817
3-[[2-(5-bromo-2-methoxyphenyl)acetyl]amino]propanoic acid
CID 119177169
5-[[2-(5-bromo-2-methoxyphenyl)acetyl]amino]pentanoic acid
CID 119234651
N-(3-aminobutyl)-2-(5-bromo-2-methoxyphenyl)acetamide
CID 119497012
2-[(5-bromo-2-methoxyphenyl)methylamino]ethylurea
CID 83111448
2-(4-bromo-2-methoxyphenyl)-N-ethylacetamide;hydrochloride
CID 175415632
2-[2-[[2-(5-bromo-2-methoxyphenyl)acetyl]amino]ethylsulfanyl]acetic acid
CID 119241942
2-(3-bromophenyl)-N-[2-(ethylamino)ethyl]acetamide;hydrochloride
CID 75419116
4-[(5-bromo-2-methoxyphenyl)methylamino]-4-oxobutanoic acid
CID 115163690
methyl N-[(5-bromo-2-methoxyphenyl)methyl]carbamate
CID 110780679
N-[2-(5-bromo-2-methoxyphenyl)ethyl]-2-(methylamino)acetamide
CID 115152018
3-[(5-bromo-2-methoxyphenyl)methylamino]-N,N-diethylpropanamide
CID 60925413

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-methoxyphenyl)-N-[2-(ethylamino)ethyl]acetamide;hydrochloride?
The IUPAC name of 2-(5-bromo-2-methoxyphenyl)-N-[2-(ethylamino)ethyl]acetamide;hydrochloride (CID 119506812) is 2-(5-bromo-2-methoxyphenyl)-N-[2-(ethylamino)ethyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(5-bromo-2-methoxyphenyl)-N-[2-(ethylamino)ethyl]acetamide;hydrochloride?
The canonical SMILES for 2-(5-bromo-2-methoxyphenyl)-N-[2-(ethylamino)ethyl]acetamide;hydrochloride is CCNCCNC(=O)Cc1cc(Br)ccc1OC.Cl.
What is the InChIKey of 2-(5-bromo-2-methoxyphenyl)-N-[2-(ethylamino)ethyl]acetamide;hydrochloride?
The InChIKey is XRQFOQSJJREAEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O2.ClH/c1-3-15-6-7-16-13(17)9-10-8-11(14)4-5-12(10)18-2;/h4-5,8,15H,3,6-7,9H2,1-2H3,(H,16,17);1H.
What are the key properties of 2-(5-bromo-2-methoxyphenyl)-N-[2-(ethylamino)ethyl]acetamide;hydrochloride?
2-(5-bromo-2-methoxyphenyl)-N-[2-(ethylamino)ethyl]acetamide;hydrochloride has a molecular weight of 351.67 g/mol, XLogP of 2.15, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-methoxyphenyl)-N-[2-(ethylamino)ethyl]acetamide;hydrochloride is sourced from PubChem (CID 119506812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).