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

C22H18Br2N2O3 — CID 126218291

IUPAC2-[2,6-dibromo-4-[(4-methoxyphenyl)iminomethyl]phenoxy]-N-phenylacetamide
SMILESCOc1ccc(/N=C/c2cc(Br)c(OCC(=O)Nc3ccccc3)c(Br)c2)cc1
InChIInChI=1S/C22H18Br2N2O3/c1-28-18-9-7-16(8-10-18)25-13-15-11-19(23)22(20(24)12-15)29-14-21(27)26-17-5-3-2-4-6-17/h2-13H,14H2,1H3,(H,26,27)/b25-13+
InChIKeyPVBNYZHPSFJXOL-DHRITJCHSA-N
MW518.21 g/mol
LogP5.99
Rot. Bonds7

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

2-[2,6-dibromo-4-[(4-methoxyphenyl)iminomethyl]phenoxy]-N-phenylacetamide (PubChem CID 126218291) has the molecular formula C22H18Br2N2O3 and a molecular weight of 518.21 g/mol. Its IUPAC name is 2-[2,6-dibromo-4-[(4-methoxyphenyl)iminomethyl]phenoxy]-N-phenylacetamide.

Molecular Properties

Compound Name2-[2,6-dibromo-4-[(4-methoxyphenyl)iminomethyl]phenoxy]-N-phenylacetamide
PubChem CID126218291
Molecular FormulaC22H18Br2N2O3
Molecular Weight518.21 g/mol
Exact Mass515.97
IUPAC Name2-[2,6-dibromo-4-[(4-methoxyphenyl)iminomethyl]phenoxy]-N-phenylacetamide
SMILESCOc1ccc(/N=C/c2cc(Br)c(OCC(=O)Nc3ccccc3)c(Br)c2)cc1
InChIInChI=1S/C22H18Br2N2O3/c1-28-18-9-7-16(8-10-18)25-13-15-11-19(23)22(20(24)12-15)29-14-21(27)26-17-5-3-2-4-6-17/h2-13H,14H2,1H3,(H,26,27)/b25-13+
InChIKeyPVBNYZHPSFJXOL-DHRITJCHSA-N
XLogP5.99
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.21
LogP ≤ 55.99
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-[2,6-dibromo-4-[(4-methylphenyl)iminomethyl]phenoxy]-N-phenylacetamide
CID 126215354
2-[2,6-dibromo-4-[(3,4-dimethylphenyl)iminomethyl]phenoxy]-N-phenylacetamide
CID 126221588
2-[4-[(4-methoxyphenyl)iminomethyl]phenoxy]-N-phenylacetamide
CID 94832090
2-[4-[(4-bromophenyl)iminomethyl]phenoxy]-N-(4-methoxyphenyl)acetamide
CID 94832076
N-[(E)-[3-bromo-5-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide
CID 126383357
2-[2-chloro-6-ethoxy-4-[(4-methoxyphenyl)iminomethyl]phenoxy]-N-(3-methylphenyl)acetamide
CID 126224022
2-[2-bromo-6-ethoxy-4-(phenyliminomethyl)phenoxy]-N-(3-methylphenyl)acetamide
CID 126220525
2-[2-ethoxy-4-[(4-ethoxyphenyl)iminomethyl]-6-iodophenoxy]-N-phenylacetamide
CID 126209667
2-[2,6-dichloro-4-(phenyliminomethyl)phenoxy]-N-(3-methylphenyl)acetamide
CID 126218806
2-[2-bromo-4-[(4-ethylphenyl)iminomethyl]phenoxy]-N-phenylacetamide
CID 126219660
2-[2-bromo-6-methoxy-4-[(4-nitrophenyl)iminomethyl]phenoxy]-N-(4-chlorophenyl)acetamide
CID 126224623
2-[2-chloro-6-methoxy-4-[(4-nitrophenyl)iminomethyl]phenoxy]-N-phenylacetamide
CID 126051170

Frequently Asked Questions

What is the IUPAC name of 2-[2,6-dibromo-4-[(4-methoxyphenyl)iminomethyl]phenoxy]-N-phenylacetamide?
The IUPAC name of 2-[2,6-dibromo-4-[(4-methoxyphenyl)iminomethyl]phenoxy]-N-phenylacetamide (CID 126218291) is 2-[2,6-dibromo-4-[(4-methoxyphenyl)iminomethyl]phenoxy]-N-phenylacetamide.
What is the SMILES notation for 2-[2,6-dibromo-4-[(4-methoxyphenyl)iminomethyl]phenoxy]-N-phenylacetamide?
The canonical SMILES for 2-[2,6-dibromo-4-[(4-methoxyphenyl)iminomethyl]phenoxy]-N-phenylacetamide is COc1ccc(/N=C/c2cc(Br)c(OCC(=O)Nc3ccccc3)c(Br)c2)cc1.
What is the InChIKey of 2-[2,6-dibromo-4-[(4-methoxyphenyl)iminomethyl]phenoxy]-N-phenylacetamide?
The InChIKey is PVBNYZHPSFJXOL-DHRITJCHSA-N. The full InChI is InChI=1S/C22H18Br2N2O3/c1-28-18-9-7-16(8-10-18)25-13-15-11-19(23)22(20(24)12-15)29-14-21(27)26-17-5-3-2-4-6-17/h2-13H,14H2,1H3,(H,26,27)/b25-13+.
What are the key properties of 2-[2,6-dibromo-4-[(4-methoxyphenyl)iminomethyl]phenoxy]-N-phenylacetamide?
2-[2,6-dibromo-4-[(4-methoxyphenyl)iminomethyl]phenoxy]-N-phenylacetamide has a molecular weight of 518.21 g/mol, XLogP of 5.99, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,6-dibromo-4-[(4-methoxyphenyl)iminomethyl]phenoxy]-N-phenylacetamide is sourced from PubChem (CID 126218291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).