N-(4-bromo-3-methoxyphenyl)-2-ethoxyacetamide

C11H14BrNO3 — CID 79421127

IUPACN-(4-bromo-3-methoxyphenyl)-2-ethoxyacetamide
SMILESCCOCC(=O)Nc1ccc(Br)c(OC)c1
InChIInChI=1S/C11H14BrNO3/c1-3-16-7-11(14)13-8-4-5-9(12)10(6-8)15-2/h4-6H,3,7H2,1-2H3,(H,13,14)
InChIKeyYXGQNBCTUJJCAG-UHFFFAOYSA-N
MW288.14 g/mol
LogP2.43
Rot. Bonds5

About N-(4-bromo-3-methoxyphenyl)-2-ethoxyacetamide

N-(4-bromo-3-methoxyphenyl)-2-ethoxyacetamide (PubChem CID 79421127) has the molecular formula C11H14BrNO3 and a molecular weight of 288.14 g/mol. Its IUPAC name is N-(4-bromo-3-methoxyphenyl)-2-ethoxyacetamide.

Molecular Properties

Compound NameN-(4-bromo-3-methoxyphenyl)-2-ethoxyacetamide
PubChem CID79421127
Molecular FormulaC11H14BrNO3
Molecular Weight288.14 g/mol
Exact Mass287.02
IUPAC NameN-(4-bromo-3-methoxyphenyl)-2-ethoxyacetamide
SMILESCCOCC(=O)Nc1ccc(Br)c(OC)c1
InChIInChI=1S/C11H14BrNO3/c1-3-16-7-11(14)13-8-4-5-9(12)10(6-8)15-2/h4-6H,3,7H2,1-2H3,(H,13,14)
InChIKeyYXGQNBCTUJJCAG-UHFFFAOYSA-N
XLogP2.43
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.14
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(4-bromo-3-methoxyanilino)-2-oxoethoxy]acetic acid
CID 82857878
N-(4-bromo-3-nitrophenyl)-2-ethoxyacetamide
CID 79767714
2-(2-aminophenoxy)-N-(4-bromo-3-methoxyphenyl)acetamide
CID 82858985
4-(4-bromo-3-methoxyanilino)-2,2-diethyl-4-oxobutanoic acid
CID 79451102
N-(6-bromonaphthalen-2-yl)-2-ethoxyacetamide
CID 81003546
2-(2-ethoxyethoxy)-N-(4-methoxy-3-methylphenyl)acetamide
CID 86839026
6-amino-N-(4-bromo-3-methoxyphenyl)hexanamide
CID 82867477
N-(4-bromo-3-methoxyphenyl)-3-(tert-butylamino)propanamide
CID 82867959
N-(4-bromo-3-methoxyphenyl)-2-(prop-2-ynylamino)acetamide
CID 82867637
3,5-dibromo-N-(4-bromo-3-methoxyphenyl)benzamide
CID 107980534
chloromethyl N-(4-bromo-3-methoxyphenyl)carbamate
CID 164652567
N-[(4-bromo-3-methoxyphenyl)carbamoyl]-3-chloropropanamide
CID 82860469

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methoxyphenyl)-2-ethoxyacetamide?
The IUPAC name of N-(4-bromo-3-methoxyphenyl)-2-ethoxyacetamide (CID 79421127) is N-(4-bromo-3-methoxyphenyl)-2-ethoxyacetamide.
What is the SMILES notation for N-(4-bromo-3-methoxyphenyl)-2-ethoxyacetamide?
The canonical SMILES for N-(4-bromo-3-methoxyphenyl)-2-ethoxyacetamide is CCOCC(=O)Nc1ccc(Br)c(OC)c1.
What is the InChIKey of N-(4-bromo-3-methoxyphenyl)-2-ethoxyacetamide?
The InChIKey is YXGQNBCTUJJCAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO3/c1-3-16-7-11(14)13-8-4-5-9(12)10(6-8)15-2/h4-6H,3,7H2,1-2H3,(H,13,14).
What are the key properties of N-(4-bromo-3-methoxyphenyl)-2-ethoxyacetamide?
N-(4-bromo-3-methoxyphenyl)-2-ethoxyacetamide has a molecular weight of 288.14 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methoxyphenyl)-2-ethoxyacetamide is sourced from PubChem (CID 79421127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).