N-(4-bromo-2-methylphenyl)-2-(4-ethoxyphenoxy)acetamide

C17H18BrNO3 — CID 7613552

IUPACN-(4-bromo-2-methylphenyl)-2-(4-ethoxyphenoxy)acetamide
SMILESCCOc1ccc(OCC(=O)Nc2ccc(Br)cc2C)cc1
InChIInChI=1S/C17H18BrNO3/c1-3-21-14-5-7-15(8-6-14)22-11-17(20)19-16-9-4-13(18)10-12(16)2/h4-10H,3,11H2,1-2H3,(H,19,20)
InChIKeyCSQZJFSANYQHDP-UHFFFAOYSA-N
MW364.24 g/mol
LogP4.17
Rot. Bonds6

About N-(4-bromo-2-methylphenyl)-2-(4-ethoxyphenoxy)acetamide

N-(4-bromo-2-methylphenyl)-2-(4-ethoxyphenoxy)acetamide (PubChem CID 7613552) has the molecular formula C17H18BrNO3 and a molecular weight of 364.24 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-2-(4-ethoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-2-(4-ethoxyphenoxy)acetamide
PubChem CID7613552
Molecular FormulaC17H18BrNO3
Molecular Weight364.24 g/mol
Exact Mass363.05
IUPAC NameN-(4-bromo-2-methylphenyl)-2-(4-ethoxyphenoxy)acetamide
SMILESCCOc1ccc(OCC(=O)Nc2ccc(Br)cc2C)cc1
InChIInChI=1S/C17H18BrNO3/c1-3-21-14-5-7-15(8-6-14)22-11-17(20)19-16-9-4-13(18)10-12(16)2/h4-10H,3,11H2,1-2H3,(H,19,20)
InChIKeyCSQZJFSANYQHDP-UHFFFAOYSA-N
XLogP4.17
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.24
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-[2-(4-bromo-2-methylanilino)-2-oxoethoxy]benzoate
CID 34568390
2-(4-bromophenoxy)-N-(2,4-dimethylphenyl)acetamide
CID 874144
N-(4-bromo-2-methylphenyl)-3-(4-ethoxyanilino)propanamide
CID 109039955
2-[[2-(4-acetylphenoxy)acetyl]amino]-N-(4-bromo-2-methylphenyl)acetamide
CID 2621364
N-[4-[2-(4-bromo-2-methylanilino)-2-oxoethoxy]phenyl]-N,2,2-trimethylpropanamide
CID 112828009
N-(4-bromo-2-methylphenyl)-2-(4-cyano-2-ethoxyphenoxy)acetamide
CID 7993139
(E)-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-(4-ethoxyphenyl)prop-2-enamide
CID 26712863
N-(4-bromo-2-methylphenyl)-2-(3-methylphenoxy)acetamide;oxalic acid
CID 171154737
[2-(4-bromo-2-methylanilino)-2-oxoethyl] 2-(3,4-dimethylphenoxy)acetate
CID 40706675
N-(4-bromo-2-methylphenyl)-2-(2,4-dibromo-6-methylphenoxy)acetamide
CID 3489380
N-(4-bromo-2-methylphenyl)-2-(2-oxochromen-7-yl)oxyacetamide
CID 2610857
N-(4-bromo-2-methylphenyl)-2-[[2-(4-nitrophenoxy)acetyl]amino]acetamide
CID 2632099

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-2-(4-ethoxyphenoxy)acetamide?
The IUPAC name of N-(4-bromo-2-methylphenyl)-2-(4-ethoxyphenoxy)acetamide (CID 7613552) is N-(4-bromo-2-methylphenyl)-2-(4-ethoxyphenoxy)acetamide.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-2-(4-ethoxyphenoxy)acetamide?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-2-(4-ethoxyphenoxy)acetamide is CCOc1ccc(OCC(=O)Nc2ccc(Br)cc2C)cc1.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-2-(4-ethoxyphenoxy)acetamide?
The InChIKey is CSQZJFSANYQHDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO3/c1-3-21-14-5-7-15(8-6-14)22-11-17(20)19-16-9-4-13(18)10-12(16)2/h4-10H,3,11H2,1-2H3,(H,19,20).
What are the key properties of N-(4-bromo-2-methylphenyl)-2-(4-ethoxyphenoxy)acetamide?
N-(4-bromo-2-methylphenyl)-2-(4-ethoxyphenoxy)acetamide has a molecular weight of 364.24 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methylphenyl)-2-(4-ethoxyphenoxy)acetamide is sourced from PubChem (CID 7613552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).