2-[2-bromo-6-ethoxy-4-(phenyliminomethyl)phenoxy]-N-(3-methylphenyl)acetamide

C24H23BrN2O3 — CID 126220525

IUPAC2-[2-bromo-6-ethoxy-4-(phenyliminomethyl)phenoxy]-N-(3-methylphenyl)acetamide
SMILESCCOc1cc(/C=N/c2ccccc2)cc(Br)c1OCC(=O)Nc1cccc(C)c1
InChIInChI=1S/C24H23BrN2O3/c1-3-29-22-14-18(15-26-19-9-5-4-6-10-19)13-21(25)24(22)30-16-23(28)27-20-11-7-8-17(2)12-20/h4-15H,3,16H2,1-2H3,(H,27,28)/b26-15+
InChIKeyXLFWWKQLCDHERV-CVKSISIWSA-N
MW467.36 g/mol
LogP5.92
Rot. Bonds8

About 2-[2-bromo-6-ethoxy-4-(phenyliminomethyl)phenoxy]-N-(3-methylphenyl)acetamide

2-[2-bromo-6-ethoxy-4-(phenyliminomethyl)phenoxy]-N-(3-methylphenyl)acetamide (PubChem CID 126220525) has the molecular formula C24H23BrN2O3 and a molecular weight of 467.36 g/mol. Its IUPAC name is 2-[2-bromo-6-ethoxy-4-(phenyliminomethyl)phenoxy]-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-bromo-6-ethoxy-4-(phenyliminomethyl)phenoxy]-N-(3-methylphenyl)acetamide
PubChem CID126220525
Molecular FormulaC24H23BrN2O3
Molecular Weight467.36 g/mol
Exact Mass466.09
IUPAC Name2-[2-bromo-6-ethoxy-4-(phenyliminomethyl)phenoxy]-N-(3-methylphenyl)acetamide
SMILESCCOc1cc(/C=N/c2ccccc2)cc(Br)c1OCC(=O)Nc1cccc(C)c1
InChIInChI=1S/C24H23BrN2O3/c1-3-29-22-14-18(15-26-19-9-5-4-6-10-19)13-21(25)24(22)30-16-23(28)27-20-11-7-8-17(2)12-20/h4-15H,3,16H2,1-2H3,(H,27,28)/b26-15+
InChIKeyXLFWWKQLCDHERV-CVKSISIWSA-N
XLogP5.92
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.36
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-[2-bromo-6-ethoxy-4-[(4-ethylphenyl)iminomethyl]phenoxy]-N-(3-methylphenyl)acetamide
CID 126222442
2-[2,6-dichloro-4-(phenyliminomethyl)phenoxy]-N-(3-methylphenyl)acetamide
CID 126218806
2-[2,6-dibromo-4-[(4-methylphenyl)iminomethyl]phenoxy]-N-phenylacetamide
CID 126215354
2-[2-chloro-6-ethoxy-4-[(4-methoxyphenyl)iminomethyl]phenoxy]-N-(3-methylphenyl)acetamide
CID 126224022
2-[2-chloro-6-ethoxy-4-[(4-methylphenyl)iminomethyl]phenoxy]-N-phenylacetamide
CID 126215628
(E)-3-[3-bromo-5-ethoxy-4-[2-(3-methylanilino)-2-oxoethoxy]phenyl]-2-cyano-N-phenylprop-2-enamide
CID 126060246
2-[4-[(2,5-dimethylphenyl)iminomethyl]-2-ethoxy-6-iodophenoxy]-N-(3-methylphenyl)acetamide
CID 126209254
2-[2-ethoxy-4-[(4-ethoxyphenyl)iminomethyl]-6-iodophenoxy]-N-phenylacetamide
CID 126209667
N-[(E)-[3-bromo-5-ethoxy-4-[2-(3-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-3-methoxy-4-propoxybenzamide
CID 126320276
N-[(E)-[3-bromo-5-ethoxy-4-[2-(3-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-3-nitrobenzamide
CID 126268728
2-[2-bromo-6-ethoxy-4-[(4-methylanilino)methyl]phenoxy]-N-(3-methylphenyl)acetamide
CID 126256661
2-[2-ethoxy-4-[(4-nitrophenyl)iminomethyl]phenoxy]-N-(3-methylphenyl)acetamide
CID 126053216

Frequently Asked Questions

What is the IUPAC name of 2-[2-bromo-6-ethoxy-4-(phenyliminomethyl)phenoxy]-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-[2-bromo-6-ethoxy-4-(phenyliminomethyl)phenoxy]-N-(3-methylphenyl)acetamide (CID 126220525) is 2-[2-bromo-6-ethoxy-4-(phenyliminomethyl)phenoxy]-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-[2-bromo-6-ethoxy-4-(phenyliminomethyl)phenoxy]-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-[2-bromo-6-ethoxy-4-(phenyliminomethyl)phenoxy]-N-(3-methylphenyl)acetamide is CCOc1cc(/C=N/c2ccccc2)cc(Br)c1OCC(=O)Nc1cccc(C)c1.
What is the InChIKey of 2-[2-bromo-6-ethoxy-4-(phenyliminomethyl)phenoxy]-N-(3-methylphenyl)acetamide?
The InChIKey is XLFWWKQLCDHERV-CVKSISIWSA-N. The full InChI is InChI=1S/C24H23BrN2O3/c1-3-29-22-14-18(15-26-19-9-5-4-6-10-19)13-21(25)24(22)30-16-23(28)27-20-11-7-8-17(2)12-20/h4-15H,3,16H2,1-2H3,(H,27,28)/b26-15+.
What are the key properties of 2-[2-bromo-6-ethoxy-4-(phenyliminomethyl)phenoxy]-N-(3-methylphenyl)acetamide?
2-[2-bromo-6-ethoxy-4-(phenyliminomethyl)phenoxy]-N-(3-methylphenyl)acetamide has a molecular weight of 467.36 g/mol, XLogP of 5.92, 8 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-(phenyliminomethyl)phenoxy]-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 126220525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).