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

C22H18Br2N2O2 — CID 126215354

IUPAC2-[2,6-dibromo-4-[(4-methylphenyl)iminomethyl]phenoxy]-N-phenylacetamide
SMILESCc1ccc(/N=C/c2cc(Br)c(OCC(=O)Nc3ccccc3)c(Br)c2)cc1
InChIInChI=1S/C22H18Br2N2O2/c1-15-7-9-17(10-8-15)25-13-16-11-19(23)22(20(24)12-16)28-14-21(27)26-18-5-3-2-4-6-18/h2-13H,14H2,1H3,(H,26,27)/b25-13+
InChIKeyGAWDEUMCXHYIKG-DHRITJCHSA-N
MW502.21 g/mol
LogP6.29
Rot. Bonds6

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

2-[2,6-dibromo-4-[(4-methylphenyl)iminomethyl]phenoxy]-N-phenylacetamide (PubChem CID 126215354) has the molecular formula C22H18Br2N2O2 and a molecular weight of 502.21 g/mol. Its IUPAC name is 2-[2,6-dibromo-4-[(4-methylphenyl)iminomethyl]phenoxy]-N-phenylacetamide.

Molecular Properties

Compound Name2-[2,6-dibromo-4-[(4-methylphenyl)iminomethyl]phenoxy]-N-phenylacetamide
PubChem CID126215354
Molecular FormulaC22H18Br2N2O2
Molecular Weight502.21 g/mol
Exact Mass499.97
IUPAC Name2-[2,6-dibromo-4-[(4-methylphenyl)iminomethyl]phenoxy]-N-phenylacetamide
SMILESCc1ccc(/N=C/c2cc(Br)c(OCC(=O)Nc3ccccc3)c(Br)c2)cc1
InChIInChI=1S/C22H18Br2N2O2/c1-15-7-9-17(10-8-15)25-13-16-11-19(23)22(20(24)12-16)28-14-21(27)26-18-5-3-2-4-6-18/h2-13H,14H2,1H3,(H,26,27)/b25-13+
InChIKeyGAWDEUMCXHYIKG-DHRITJCHSA-N
XLogP6.29
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.21
LogP ≤ 56.29
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-[(3,4-dimethylphenyl)iminomethyl]phenoxy]-N-phenylacetamide
CID 126221588
2-[2,6-dibromo-4-[(4-methoxyphenyl)iminomethyl]phenoxy]-N-phenylacetamide
CID 126218291
2-[2-chloro-6-ethoxy-4-[(4-methylphenyl)iminomethyl]phenoxy]-N-phenylacetamide
CID 126215628
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-6-ethoxy-4-[(4-ethylphenyl)iminomethyl]phenoxy]-N-(3-methylphenyl)acetamide
CID 126222442
2-[2-bromo-4-[(4-ethylphenyl)iminomethyl]phenoxy]-N-phenylacetamide
CID 126219660
N-(3-chloro-4-methylphenyl)-2-[2,6-dibromo-4-[(4-ethylphenyl)iminomethyl]phenoxy]acetamide
CID 126214545
2-[2-bromo-4-[(Z)-hydroxyiminomethyl]-6-methoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 40596478
2-[2-bromo-4-(hydroxyiminomethyl)-6-methoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 57365553
N-(3-methylphenyl)-2-[4-[(4-phenoxyphenyl)iminomethyl]phenoxy]acetamide
CID 126217084
2-[2-ethoxy-4-[(4-ethoxyphenyl)iminomethyl]-6-iodophenoxy]-N-phenylacetamide
CID 126209667

Frequently Asked Questions

What is the IUPAC name of 2-[2,6-dibromo-4-[(4-methylphenyl)iminomethyl]phenoxy]-N-phenylacetamide?
The IUPAC name of 2-[2,6-dibromo-4-[(4-methylphenyl)iminomethyl]phenoxy]-N-phenylacetamide (CID 126215354) is 2-[2,6-dibromo-4-[(4-methylphenyl)iminomethyl]phenoxy]-N-phenylacetamide.
What is the SMILES notation for 2-[2,6-dibromo-4-[(4-methylphenyl)iminomethyl]phenoxy]-N-phenylacetamide?
The canonical SMILES for 2-[2,6-dibromo-4-[(4-methylphenyl)iminomethyl]phenoxy]-N-phenylacetamide is Cc1ccc(/N=C/c2cc(Br)c(OCC(=O)Nc3ccccc3)c(Br)c2)cc1.
What is the InChIKey of 2-[2,6-dibromo-4-[(4-methylphenyl)iminomethyl]phenoxy]-N-phenylacetamide?
The InChIKey is GAWDEUMCXHYIKG-DHRITJCHSA-N. The full InChI is InChI=1S/C22H18Br2N2O2/c1-15-7-9-17(10-8-15)25-13-16-11-19(23)22(20(24)12-16)28-14-21(27)26-18-5-3-2-4-6-18/h2-13H,14H2,1H3,(H,26,27)/b25-13+.
What are the key properties of 2-[2,6-dibromo-4-[(4-methylphenyl)iminomethyl]phenoxy]-N-phenylacetamide?
2-[2,6-dibromo-4-[(4-methylphenyl)iminomethyl]phenoxy]-N-phenylacetamide has a molecular weight of 502.21 g/mol, XLogP of 6.29, 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-[(4-methylphenyl)iminomethyl]phenoxy]-N-phenylacetamide is sourced from PubChem (CID 126215354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).