2-(2-bromo-6-ethoxy-4-formylphenoxy)-N-(4-bromo-2-methylphenyl)acetamide

C18H17Br2NO4 — CID 23935761

IUPAC2-(2-bromo-6-ethoxy-4-formylphenoxy)-N-(4-bromo-2-methylphenyl)acetamide
SMILESCCOc1cc(C=O)cc(Br)c1OCC(=O)Nc1ccc(Br)cc1C
InChIInChI=1S/C18H17Br2NO4/c1-3-24-16-8-12(9-22)7-14(20)18(16)25-10-17(23)21-15-5-4-13(19)6-11(15)2/h4-9H,3,10H2,1-2H3,(H,21,23)
InChIKeyWTWOCKFTVNGASO-UHFFFAOYSA-N
MW471.15 g/mol
LogP4.75
Rot. Bonds7

About 2-(2-bromo-6-ethoxy-4-formylphenoxy)-N-(4-bromo-2-methylphenyl)acetamide

2-(2-bromo-6-ethoxy-4-formylphenoxy)-N-(4-bromo-2-methylphenyl)acetamide (PubChem CID 23935761) has the molecular formula C18H17Br2NO4 and a molecular weight of 471.15 g/mol. Its IUPAC name is 2-(2-bromo-6-ethoxy-4-formylphenoxy)-N-(4-bromo-2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-bromo-6-ethoxy-4-formylphenoxy)-N-(4-bromo-2-methylphenyl)acetamide
PubChem CID23935761
Molecular FormulaC18H17Br2NO4
Molecular Weight471.15 g/mol
Exact Mass468.95
IUPAC Name2-(2-bromo-6-ethoxy-4-formylphenoxy)-N-(4-bromo-2-methylphenyl)acetamide
SMILESCCOc1cc(C=O)cc(Br)c1OCC(=O)Nc1ccc(Br)cc1C
InChIInChI=1S/C18H17Br2NO4/c1-3-24-16-8-12(9-22)7-14(20)18(16)25-10-17(23)21-15-5-4-13(19)6-11(15)2/h4-9H,3,10H2,1-2H3,(H,21,23)
InChIKeyWTWOCKFTVNGASO-UHFFFAOYSA-N
XLogP4.75
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.15
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromo-4,5-dimethylphenyl)-2-(2-bromo-6-ethoxy-4-formylphenoxy)acetamide
CID 3635185
2-(2-bromo-6-ethoxy-4-formylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide
CID 17201813
2-(2-bromo-6-ethoxy-4-formylphenoxy)-N-(2-chlorophenyl)acetamide
CID 1284879
N-(4-bromo-2-methylphenyl)-2-(2,4-dibromo-6-methylphenoxy)acetamide
CID 3489380
2-(2-bromo-4-formyl-6-methoxyphenoxy)-N-(2-methylphenyl)acetamide
CID 1008844
2-(2-bromo-6-ethoxy-4-formylphenoxy)-N-(4-ethylphenyl)acetamide
CID 17201814
N-(4-bromo-2-methylphenyl)-2-(4-ethoxyphenoxy)acetamide
CID 7613552
2-(2,6-dibromo-4-formylphenoxy)-N-(2,5-dimethylphenyl)acetamide
CID 126271360
N-(2-ethoxyphenyl)-2-(4-formyl-2,6-dimethylphenoxy)acetamide
CID 7696063
N-(4-bromo-2-methylphenyl)-2-(4-cyano-2-ethoxyphenoxy)acetamide
CID 7993139
N-(2,4-dimethylphenyl)-2-(4-formyl-2,6-dimethoxyphenoxy)acetamide
CID 28913315
N-[(E)-[3-bromo-5-ethoxy-4-[2-(2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide
CID 126254136

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-6-ethoxy-4-formylphenoxy)-N-(4-bromo-2-methylphenyl)acetamide?
The IUPAC name of 2-(2-bromo-6-ethoxy-4-formylphenoxy)-N-(4-bromo-2-methylphenyl)acetamide (CID 23935761) is 2-(2-bromo-6-ethoxy-4-formylphenoxy)-N-(4-bromo-2-methylphenyl)acetamide.
What is the SMILES notation for 2-(2-bromo-6-ethoxy-4-formylphenoxy)-N-(4-bromo-2-methylphenyl)acetamide?
The canonical SMILES for 2-(2-bromo-6-ethoxy-4-formylphenoxy)-N-(4-bromo-2-methylphenyl)acetamide is CCOc1cc(C=O)cc(Br)c1OCC(=O)Nc1ccc(Br)cc1C.
What is the InChIKey of 2-(2-bromo-6-ethoxy-4-formylphenoxy)-N-(4-bromo-2-methylphenyl)acetamide?
The InChIKey is WTWOCKFTVNGASO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Br2NO4/c1-3-24-16-8-12(9-22)7-14(20)18(16)25-10-17(23)21-15-5-4-13(19)6-11(15)2/h4-9H,3,10H2,1-2H3,(H,21,23).
What are the key properties of 2-(2-bromo-6-ethoxy-4-formylphenoxy)-N-(4-bromo-2-methylphenyl)acetamide?
2-(2-bromo-6-ethoxy-4-formylphenoxy)-N-(4-bromo-2-methylphenyl)acetamide has a molecular weight of 471.15 g/mol, XLogP of 4.75, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-6-ethoxy-4-formylphenoxy)-N-(4-bromo-2-methylphenyl)acetamide is sourced from PubChem (CID 23935761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).