2-[4-bromo-2-[(2,5-dimethylphenyl)iminomethyl]phenoxy]-N-phenylacetamide

C23H21BrN2O2 — CID 126206286

IUPAC2-[4-bromo-2-[(2,5-dimethylphenyl)iminomethyl]phenoxy]-N-phenylacetamide
SMILESCc1ccc(C)c(/N=C/c2cc(Br)ccc2OCC(=O)Nc2ccccc2)c1
InChIInChI=1S/C23H21BrN2O2/c1-16-8-9-17(2)21(12-16)25-14-18-13-19(24)10-11-22(18)28-15-23(27)26-20-6-4-3-5-7-20/h3-14H,15H2,1-2H3,(H,26,27)/b25-14+
InChIKeyGKWKUYATLGFMMJ-AFUMVMLFSA-N
MW437.34 g/mol
LogP5.83
Rot. Bonds6

About 2-[4-bromo-2-[(2,5-dimethylphenyl)iminomethyl]phenoxy]-N-phenylacetamide

2-[4-bromo-2-[(2,5-dimethylphenyl)iminomethyl]phenoxy]-N-phenylacetamide (PubChem CID 126206286) has the molecular formula C23H21BrN2O2 and a molecular weight of 437.34 g/mol. Its IUPAC name is 2-[4-bromo-2-[(2,5-dimethylphenyl)iminomethyl]phenoxy]-N-phenylacetamide.

Molecular Properties

Compound Name2-[4-bromo-2-[(2,5-dimethylphenyl)iminomethyl]phenoxy]-N-phenylacetamide
PubChem CID126206286
Molecular FormulaC23H21BrN2O2
Molecular Weight437.34 g/mol
Exact Mass436.08
IUPAC Name2-[4-bromo-2-[(2,5-dimethylphenyl)iminomethyl]phenoxy]-N-phenylacetamide
SMILESCc1ccc(C)c(/N=C/c2cc(Br)ccc2OCC(=O)Nc2ccccc2)c1
InChIInChI=1S/C23H21BrN2O2/c1-16-8-9-17(2)21(12-16)25-14-18-13-19(24)10-11-22(18)28-15-23(27)26-20-6-4-3-5-7-20/h3-14H,15H2,1-2H3,(H,26,27)/b25-14+
InChIKeyGKWKUYATLGFMMJ-AFUMVMLFSA-N
XLogP5.83
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.34
LogP ≤ 55.83
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-bromo-2-[(2,4-dimethylphenyl)iminomethyl]phenoxy]-N-phenylacetamide
CID 126221517
2-[4-bromo-2-[(E)-hydroxyiminomethyl]phenoxy]-N-phenylacetamide
CID 19619525
2-[4-bromo-2-[(E)-hydroxyiminomethyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 19619528
2-[4-bromo-2-[(Z)-hydroxyiminomethyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 40596480
2-[4-bromo-2-[(3-chloro-2-methylphenyl)iminomethyl]phenoxy]-N-(3-chloro-4-methylphenyl)acetamide
CID 126216116
2-(4-bromo-2-formylphenoxy)-N-(3-methylphenyl)acetamide
CID 975229
2-[2-bromo-4-[(2-methylphenyl)iminomethyl]phenoxy]-N-phenylacetamide
CID 126220676
N'-[(Z)-[2-(2-anilino-2-oxoethoxy)-5-bromophenyl]methylideneamino]-N-ethyloxamide
CID 126181829
1-[5-bromo-2-[(4-methylphenyl)methoxy]phenyl]-N-(2,5-dimethylphenyl)methanimine
CID 126215948
N-(4-anilinophenyl)-2-(4-bromo-2-methylphenoxy)acetamide
CID 1013861
2-[4-chloro-2-[(3,4-dimethylphenyl)iminomethyl]phenoxy]-N-(3-methylphenyl)acetamide
CID 126222975
N-[(E)-[5-bromo-2-[2-(3,4-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]-4-methylbenzamide
CID 126263503

Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-2-[(2,5-dimethylphenyl)iminomethyl]phenoxy]-N-phenylacetamide?
The IUPAC name of 2-[4-bromo-2-[(2,5-dimethylphenyl)iminomethyl]phenoxy]-N-phenylacetamide (CID 126206286) is 2-[4-bromo-2-[(2,5-dimethylphenyl)iminomethyl]phenoxy]-N-phenylacetamide.
What is the SMILES notation for 2-[4-bromo-2-[(2,5-dimethylphenyl)iminomethyl]phenoxy]-N-phenylacetamide?
The canonical SMILES for 2-[4-bromo-2-[(2,5-dimethylphenyl)iminomethyl]phenoxy]-N-phenylacetamide is Cc1ccc(C)c(/N=C/c2cc(Br)ccc2OCC(=O)Nc2ccccc2)c1.
What is the InChIKey of 2-[4-bromo-2-[(2,5-dimethylphenyl)iminomethyl]phenoxy]-N-phenylacetamide?
The InChIKey is GKWKUYATLGFMMJ-AFUMVMLFSA-N. The full InChI is InChI=1S/C23H21BrN2O2/c1-16-8-9-17(2)21(12-16)25-14-18-13-19(24)10-11-22(18)28-15-23(27)26-20-6-4-3-5-7-20/h3-14H,15H2,1-2H3,(H,26,27)/b25-14+.
What are the key properties of 2-[4-bromo-2-[(2,5-dimethylphenyl)iminomethyl]phenoxy]-N-phenylacetamide?
2-[4-bromo-2-[(2,5-dimethylphenyl)iminomethyl]phenoxy]-N-phenylacetamide has a molecular weight of 437.34 g/mol, XLogP of 5.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-2-[(2,5-dimethylphenyl)iminomethyl]phenoxy]-N-phenylacetamide is sourced from PubChem (CID 126206286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).