N-(2-bromo-4,5-dimethylphenyl)-2-(2-bromo-6-ethoxy-4-formylphenoxy)acetamide

C19H19Br2NO4 — CID 3635185

IUPACN-(2-bromo-4,5-dimethylphenyl)-2-(2-bromo-6-ethoxy-4-formylphenoxy)acetamide
SMILESCCOc1cc(C=O)cc(Br)c1OCC(=O)Nc1cc(C)c(C)cc1Br
InChIInChI=1S/C19H19Br2NO4/c1-4-25-17-8-13(9-23)7-15(21)19(17)26-10-18(24)22-16-6-12(3)11(2)5-14(16)20/h5-9H,4,10H2,1-3H3,(H,22,24)
InChIKeyCVOGYJNJLOQSIY-UHFFFAOYSA-N
MW485.17 g/mol
LogP5.06
Rot. Bonds7

About N-(2-bromo-4,5-dimethylphenyl)-2-(2-bromo-6-ethoxy-4-formylphenoxy)acetamide

N-(2-bromo-4,5-dimethylphenyl)-2-(2-bromo-6-ethoxy-4-formylphenoxy)acetamide (PubChem CID 3635185) has the molecular formula C19H19Br2NO4 and a molecular weight of 485.17 g/mol. Its IUPAC name is N-(2-bromo-4,5-dimethylphenyl)-2-(2-bromo-6-ethoxy-4-formylphenoxy)acetamide.

Molecular Properties

Compound NameN-(2-bromo-4,5-dimethylphenyl)-2-(2-bromo-6-ethoxy-4-formylphenoxy)acetamide
PubChem CID3635185
Molecular FormulaC19H19Br2NO4
Molecular Weight485.17 g/mol
Exact Mass482.97
IUPAC NameN-(2-bromo-4,5-dimethylphenyl)-2-(2-bromo-6-ethoxy-4-formylphenoxy)acetamide
SMILESCCOc1cc(C=O)cc(Br)c1OCC(=O)Nc1cc(C)c(C)cc1Br
InChIInChI=1S/C19H19Br2NO4/c1-4-25-17-8-13(9-23)7-15(21)19(17)26-10-18(24)22-16-6-12(3)11(2)5-14(16)20/h5-9H,4,10H2,1-3H3,(H,22,24)
InChIKeyCVOGYJNJLOQSIY-UHFFFAOYSA-N
XLogP5.06
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.17
LogP ≤ 55.06
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

2-(2-bromo-6-ethoxy-4-formylphenoxy)-N-(4-bromo-2-methylphenyl)acetamide
CID 23935761
N-(2-bromo-4,5-dimethylphenyl)-2-[2-bromo-6-ethoxy-4-[(Z)-2-nitroethenyl]phenoxy]acetamide
CID 126012975
2-(2-bromo-6-ethoxy-4-formylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide
CID 17201813
N-(2-bromo-4,5-dimethylphenyl)-2-[2-bromo-6-ethoxy-4-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenoxy]acetamide
CID 126012123
2-(2-bromo-6-ethoxy-4-formylphenoxy)-N-(2-chlorophenyl)acetamide
CID 1284879
N-[(E)-[3-bromo-4-[2-(2-bromo-4,5-dimethylanilino)-2-oxoethoxy]-5-ethoxyphenyl]methylideneamino]benzamide
CID 126014183
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-(2-bromo-4,5-dimethylphenyl)-2-[2-bromo-4-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]-6-ethoxyphenoxy]acetamide
CID 126011785
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
2-(2-bromo-4-formyl-6-methoxyphenoxy)-N-(4-methylphenyl)acetamide
CID 19578086

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4,5-dimethylphenyl)-2-(2-bromo-6-ethoxy-4-formylphenoxy)acetamide?
The IUPAC name of N-(2-bromo-4,5-dimethylphenyl)-2-(2-bromo-6-ethoxy-4-formylphenoxy)acetamide (CID 3635185) is N-(2-bromo-4,5-dimethylphenyl)-2-(2-bromo-6-ethoxy-4-formylphenoxy)acetamide.
What is the SMILES notation for N-(2-bromo-4,5-dimethylphenyl)-2-(2-bromo-6-ethoxy-4-formylphenoxy)acetamide?
The canonical SMILES for N-(2-bromo-4,5-dimethylphenyl)-2-(2-bromo-6-ethoxy-4-formylphenoxy)acetamide is CCOc1cc(C=O)cc(Br)c1OCC(=O)Nc1cc(C)c(C)cc1Br.
What is the InChIKey of N-(2-bromo-4,5-dimethylphenyl)-2-(2-bromo-6-ethoxy-4-formylphenoxy)acetamide?
The InChIKey is CVOGYJNJLOQSIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Br2NO4/c1-4-25-17-8-13(9-23)7-15(21)19(17)26-10-18(24)22-16-6-12(3)11(2)5-14(16)20/h5-9H,4,10H2,1-3H3,(H,22,24).
What are the key properties of N-(2-bromo-4,5-dimethylphenyl)-2-(2-bromo-6-ethoxy-4-formylphenoxy)acetamide?
N-(2-bromo-4,5-dimethylphenyl)-2-(2-bromo-6-ethoxy-4-formylphenoxy)acetamide has a molecular weight of 485.17 g/mol, XLogP of 5.06, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4,5-dimethylphenyl)-2-(2-bromo-6-ethoxy-4-formylphenoxy)acetamide is sourced from PubChem (CID 3635185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).