2-[2,6-dibromo-4-[(3,4-dimethylphenyl)iminomethyl]phenoxy]-N-phenylacetamide

C23H20Br2N2O2 — CID 126221588

IUPAC2-[2,6-dibromo-4-[(3,4-dimethylphenyl)iminomethyl]phenoxy]-N-phenylacetamide
SMILESCc1ccc(/N=C/c2cc(Br)c(OCC(=O)Nc3ccccc3)c(Br)c2)cc1C
InChIInChI=1S/C23H20Br2N2O2/c1-15-8-9-19(10-16(15)2)26-13-17-11-20(24)23(21(25)12-17)29-14-22(28)27-18-6-4-3-5-7-18/h3-13H,14H2,1-2H3,(H,27,28)/b26-13+
InChIKeyXSKXMOYYFIIZIR-LGJNPRDNSA-N
MW516.23 g/mol
LogP6.60
Rot. Bonds6

About 2-[2,6-dibromo-4-[(3,4-dimethylphenyl)iminomethyl]phenoxy]-N-phenylacetamide

2-[2,6-dibromo-4-[(3,4-dimethylphenyl)iminomethyl]phenoxy]-N-phenylacetamide (PubChem CID 126221588) has the molecular formula C23H20Br2N2O2 and a molecular weight of 516.23 g/mol. Its IUPAC name is 2-[2,6-dibromo-4-[(3,4-dimethylphenyl)iminomethyl]phenoxy]-N-phenylacetamide.

Molecular Properties

Compound Name2-[2,6-dibromo-4-[(3,4-dimethylphenyl)iminomethyl]phenoxy]-N-phenylacetamide
PubChem CID126221588
Molecular FormulaC23H20Br2N2O2
Molecular Weight516.23 g/mol
Exact Mass513.99
IUPAC Name2-[2,6-dibromo-4-[(3,4-dimethylphenyl)iminomethyl]phenoxy]-N-phenylacetamide
SMILESCc1ccc(/N=C/c2cc(Br)c(OCC(=O)Nc3ccccc3)c(Br)c2)cc1C
InChIInChI=1S/C23H20Br2N2O2/c1-15-8-9-19(10-16(15)2)26-13-17-11-20(24)23(21(25)12-17)29-14-22(28)27-18-6-4-3-5-7-18/h3-13H,14H2,1-2H3,(H,27,28)/b26-13+
InChIKeyXSKXMOYYFIIZIR-LGJNPRDNSA-N
XLogP6.60
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.23
LogP ≤ 56.60
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-[2,6-dibromo-4-[(4-methylphenyl)iminomethyl]phenoxy]-N-phenylacetamide
CID 126215354
2-[2,6-dibromo-4-[(4-methoxyphenyl)iminomethyl]phenoxy]-N-phenylacetamide
CID 126218291
N-(3-chloro-4-methylphenyl)-2-[2,6-dibromo-4-[(4-ethylphenyl)iminomethyl]phenoxy]acetamide
CID 126214545
2-[4-[(3,4-dimethylphenyl)iminomethyl]phenoxy]-N-(3-methylphenyl)acetamide
CID 126222360
2-[2-bromo-6-ethoxy-4-(phenyliminomethyl)phenoxy]-N-(3-methylphenyl)acetamide
CID 126220525
2-[2,6-dichloro-4-(phenyliminomethyl)phenoxy]-N-(3-methylphenyl)acetamide
CID 126218806
2-[2-bromo-4-[(2-methylphenyl)iminomethyl]phenoxy]-N-phenylacetamide
CID 126220676
2-[2-chloro-6-methoxy-4-[(2-methylphenyl)iminomethyl]phenoxy]-N-phenylacetamide
CID 126218854
2-[2-bromo-4-[(4-ethylphenyl)iminomethyl]phenoxy]-N-phenylacetamide
CID 126219660
N-[(E)-[3,5-dibromo-4-[2-(3-chloro-4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide
CID 126258195
2-[2-chloro-6-ethoxy-4-[(4-methylphenyl)iminomethyl]phenoxy]-N-phenylacetamide
CID 126215628
N-[(E)-[3,5-dibromo-4-[2-(3,4-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]-4-methylbenzamide
CID 126269617

Frequently Asked Questions

What is the IUPAC name of 2-[2,6-dibromo-4-[(3,4-dimethylphenyl)iminomethyl]phenoxy]-N-phenylacetamide?
The IUPAC name of 2-[2,6-dibromo-4-[(3,4-dimethylphenyl)iminomethyl]phenoxy]-N-phenylacetamide (CID 126221588) is 2-[2,6-dibromo-4-[(3,4-dimethylphenyl)iminomethyl]phenoxy]-N-phenylacetamide.
What is the SMILES notation for 2-[2,6-dibromo-4-[(3,4-dimethylphenyl)iminomethyl]phenoxy]-N-phenylacetamide?
The canonical SMILES for 2-[2,6-dibromo-4-[(3,4-dimethylphenyl)iminomethyl]phenoxy]-N-phenylacetamide is Cc1ccc(/N=C/c2cc(Br)c(OCC(=O)Nc3ccccc3)c(Br)c2)cc1C.
What is the InChIKey of 2-[2,6-dibromo-4-[(3,4-dimethylphenyl)iminomethyl]phenoxy]-N-phenylacetamide?
The InChIKey is XSKXMOYYFIIZIR-LGJNPRDNSA-N. The full InChI is InChI=1S/C23H20Br2N2O2/c1-15-8-9-19(10-16(15)2)26-13-17-11-20(24)23(21(25)12-17)29-14-22(28)27-18-6-4-3-5-7-18/h3-13H,14H2,1-2H3,(H,27,28)/b26-13+.
What are the key properties of 2-[2,6-dibromo-4-[(3,4-dimethylphenyl)iminomethyl]phenoxy]-N-phenylacetamide?
2-[2,6-dibromo-4-[(3,4-dimethylphenyl)iminomethyl]phenoxy]-N-phenylacetamide has a molecular weight of 516.23 g/mol, XLogP of 6.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,6-dibromo-4-[(3,4-dimethylphenyl)iminomethyl]phenoxy]-N-phenylacetamide is sourced from PubChem (CID 126221588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).