2-[2,4-dibromo-6-[(3-chloro-2-methylphenyl)iminomethyl]phenoxy]-N-(3-methylphenyl)acetamide

C23H19Br2ClN2O2 — CID 126218655

IUPAC2-[2,4-dibromo-6-[(3-chloro-2-methylphenyl)iminomethyl]phenoxy]-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)COc2c(Br)cc(Br)cc2/C=N/c2cccc(Cl)c2C)c1
InChIInChI=1S/C23H19Br2ClN2O2/c1-14-5-3-6-18(9-14)28-22(29)13-30-23-16(10-17(24)11-19(23)25)12-27-21-8-4-7-20(26)15(21)2/h3-12H,13H2,1-2H3,(H,28,29)/b27-12+
InChIKeyMIUFWDOAHOHWHZ-KKMKTNMSSA-N
MW550.68 g/mol
LogP7.25
Rot. Bonds6

About 2-[2,4-dibromo-6-[(3-chloro-2-methylphenyl)iminomethyl]phenoxy]-N-(3-methylphenyl)acetamide

2-[2,4-dibromo-6-[(3-chloro-2-methylphenyl)iminomethyl]phenoxy]-N-(3-methylphenyl)acetamide (PubChem CID 126218655) has the molecular formula C23H19Br2ClN2O2 and a molecular weight of 550.68 g/mol. Its IUPAC name is 2-[2,4-dibromo-6-[(3-chloro-2-methylphenyl)iminomethyl]phenoxy]-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[2,4-dibromo-6-[(3-chloro-2-methylphenyl)iminomethyl]phenoxy]-N-(3-methylphenyl)acetamide
PubChem CID126218655
Molecular FormulaC23H19Br2ClN2O2
Molecular Weight550.68 g/mol
Exact Mass547.95
IUPAC Name2-[2,4-dibromo-6-[(3-chloro-2-methylphenyl)iminomethyl]phenoxy]-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)COc2c(Br)cc(Br)cc2/C=N/c2cccc(Cl)c2C)c1
InChIInChI=1S/C23H19Br2ClN2O2/c1-14-5-3-6-18(9-14)28-22(29)13-30-23-16(10-17(24)11-19(23)25)12-27-21-8-4-7-20(26)15(21)2/h3-12H,13H2,1-2H3,(H,28,29)/b27-12+
InChIKeyMIUFWDOAHOHWHZ-KKMKTNMSSA-N
XLogP7.25
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.68
LogP ≤ 57.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[(3-chloro-2-methylphenyl)iminomethyl]phenoxy]-N-(3-methylphenyl)acetamide
CID 126217870
N-(3-chloro-4-methylphenyl)-2-[2,4-dibromo-6-[(5-chloro-2-methylphenyl)iminomethyl]phenoxy]acetamide
CID 126215869
2-[4-bromo-2-[(3-chloro-2-methylphenyl)iminomethyl]phenoxy]-N-(3-chloro-4-methylphenyl)acetamide
CID 126216116
N-(3-chloro-2-methylphenyl)-1-[3,5-dibromo-2-[(4-methylphenyl)methoxy]phenyl]methanimine
CID 126219288
2-[2,6-dichloro-4-[(2-methylphenyl)iminomethyl]phenoxy]-N-(3-methylphenyl)acetamide
CID 126218596
N-(3-chloro-4-methylphenyl)-2-[2,4-dibromo-6-[(4-ethylphenyl)iminomethyl]phenoxy]acetamide
CID 126219743
2-[2,6-dichloro-4-(phenyliminomethyl)phenoxy]-N-(3-methylphenyl)acetamide
CID 126218806
2-[2-chloro-6-methoxy-4-[(2-methylphenyl)iminomethyl]phenoxy]-N-(3-methylphenyl)acetamide
CID 126220627
2-(2,4-dibromo-6-formylphenoxy)-N-phenylacetamide
CID 4770117
2-[2-chloro-4-[(2,5-dimethylphenyl)iminomethyl]-6-methoxyphenoxy]-N-(3-methylphenyl)acetamide
CID 126206153
N-[(E)-[3,5-dichloro-4-[2-(3-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide
CID 126273170
2-[2-[(3-chloro-4-methylphenyl)iminomethyl]phenoxy]-N-(3-methylphenyl)acetamide
CID 126220488

Frequently Asked Questions

What is the IUPAC name of 2-[2,4-dibromo-6-[(3-chloro-2-methylphenyl)iminomethyl]phenoxy]-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-[2,4-dibromo-6-[(3-chloro-2-methylphenyl)iminomethyl]phenoxy]-N-(3-methylphenyl)acetamide (CID 126218655) is 2-[2,4-dibromo-6-[(3-chloro-2-methylphenyl)iminomethyl]phenoxy]-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-[2,4-dibromo-6-[(3-chloro-2-methylphenyl)iminomethyl]phenoxy]-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-[2,4-dibromo-6-[(3-chloro-2-methylphenyl)iminomethyl]phenoxy]-N-(3-methylphenyl)acetamide is Cc1cccc(NC(=O)COc2c(Br)cc(Br)cc2/C=N/c2cccc(Cl)c2C)c1.
What is the InChIKey of 2-[2,4-dibromo-6-[(3-chloro-2-methylphenyl)iminomethyl]phenoxy]-N-(3-methylphenyl)acetamide?
The InChIKey is MIUFWDOAHOHWHZ-KKMKTNMSSA-N. The full InChI is InChI=1S/C23H19Br2ClN2O2/c1-14-5-3-6-18(9-14)28-22(29)13-30-23-16(10-17(24)11-19(23)25)12-27-21-8-4-7-20(26)15(21)2/h3-12H,13H2,1-2H3,(H,28,29)/b27-12+.
What are the key properties of 2-[2,4-dibromo-6-[(3-chloro-2-methylphenyl)iminomethyl]phenoxy]-N-(3-methylphenyl)acetamide?
2-[2,4-dibromo-6-[(3-chloro-2-methylphenyl)iminomethyl]phenoxy]-N-(3-methylphenyl)acetamide has a molecular weight of 550.68 g/mol, XLogP of 7.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,4-dibromo-6-[(3-chloro-2-methylphenyl)iminomethyl]phenoxy]-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 126218655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).