2-(4-bromo-2-methoxyphenyl)-N-ethylacetamide;hydrochloride

C11H15BrClNO2 — CID 175415632

IUPAC2-(4-bromo-2-methoxyphenyl)-N-ethylacetamide;hydrochloride
SMILESCCNC(=O)Cc1ccc(Br)cc1OC.Cl
InChIInChI=1S/C11H14BrNO2.ClH/c1-3-13-11(14)6-8-4-5-9(12)7-10(8)15-2;/h4-5,7H,3,6H2,1-2H3,(H,13,14);1H
InChIKeyJIJSFXOWHKNGLE-UHFFFAOYSA-N
MW308.60 g/mol
LogP2.56
Rot. Bonds4

About 2-(4-bromo-2-methoxyphenyl)-N-ethylacetamide;hydrochloride

2-(4-bromo-2-methoxyphenyl)-N-ethylacetamide;hydrochloride (PubChem CID 175415632) has the molecular formula C11H15BrClNO2 and a molecular weight of 308.60 g/mol. Its IUPAC name is 2-(4-bromo-2-methoxyphenyl)-N-ethylacetamide;hydrochloride.

Molecular Properties

Compound Name2-(4-bromo-2-methoxyphenyl)-N-ethylacetamide;hydrochloride
PubChem CID175415632
Molecular FormulaC11H15BrClNO2
Molecular Weight308.60 g/mol
Exact Mass307.00
IUPAC Name2-(4-bromo-2-methoxyphenyl)-N-ethylacetamide;hydrochloride
SMILESCCNC(=O)Cc1ccc(Br)cc1OC.Cl
InChIInChI=1S/C11H14BrNO2.ClH/c1-3-13-11(14)6-8-4-5-9(12)7-10(8)15-2;/h4-5,7H,3,6H2,1-2H3,(H,13,14);1H
InChIKeyJIJSFXOWHKNGLE-UHFFFAOYSA-N
XLogP2.56
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.60
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-bromo-2-methoxyphenyl)-N-[2-(ethylamino)ethyl]acetamide;hydrochloride
CID 119506812
N-ethyl-2-(2-methoxyphenyl)acetamide
CID 3376729
2-(4-bromo-2-methoxyphenyl)-N-cyclobutylacetamide
CID 155293567
N-[3-(4-bromo-2-methoxyphenyl)propyl]-2-hydroxyacetamide
CID 75503918
2-(4-bromo-2-methoxyphenyl)-N-(3-methyl-2-pyridinyl)acetamide
CID 174683330
2-(5-bromo-2-methoxyphenyl)-N-ethyl-2-oxoacetamide
CID 82124362
2-[(5-bromo-2-methoxyphenyl)methylamino]-N-ethylpropanamide
CID 43399003
3-[[2-(5-bromo-2-methoxyphenyl)acetyl]amino]propanoic acid
CID 119177169
methyl N-[(5-bromo-2-methoxyphenyl)methyl]carbamate
CID 110780679
1-(azetidin-1-yl)-2-(4-bromo-2-methoxyphenyl)ethanone
CID 155293575
2-(4-bromo-2-methoxyphenyl)-1-pyrrolidin-1-ylethanone
CID 155293571
2-(4-bromo-2-methoxyphenyl)ethanol
CID 66580015

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-methoxyphenyl)-N-ethylacetamide;hydrochloride?
The IUPAC name of 2-(4-bromo-2-methoxyphenyl)-N-ethylacetamide;hydrochloride (CID 175415632) is 2-(4-bromo-2-methoxyphenyl)-N-ethylacetamide;hydrochloride.
What is the SMILES notation for 2-(4-bromo-2-methoxyphenyl)-N-ethylacetamide;hydrochloride?
The canonical SMILES for 2-(4-bromo-2-methoxyphenyl)-N-ethylacetamide;hydrochloride is CCNC(=O)Cc1ccc(Br)cc1OC.Cl.
What is the InChIKey of 2-(4-bromo-2-methoxyphenyl)-N-ethylacetamide;hydrochloride?
The InChIKey is JIJSFXOWHKNGLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO2.ClH/c1-3-13-11(14)6-8-4-5-9(12)7-10(8)15-2;/h4-5,7H,3,6H2,1-2H3,(H,13,14);1H.
What are the key properties of 2-(4-bromo-2-methoxyphenyl)-N-ethylacetamide;hydrochloride?
2-(4-bromo-2-methoxyphenyl)-N-ethylacetamide;hydrochloride has a molecular weight of 308.60 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-methoxyphenyl)-N-ethylacetamide;hydrochloride is sourced from PubChem (CID 175415632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).