2-[4-[(4-bromophenyl)iminomethyl]phenoxy]-N-(4-methoxyphenyl)acetamide

C22H19BrN2O3 — CID 94832076

IUPAC2-[4-[(4-bromophenyl)iminomethyl]phenoxy]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)COc2ccc(/C=N/c3ccc(Br)cc3)cc2)cc1
InChIInChI=1S/C22H19BrN2O3/c1-27-20-12-8-19(9-13-20)25-22(26)15-28-21-10-2-16(3-11-21)14-24-18-6-4-17(23)5-7-18/h2-14H,15H2,1H3,(H,25,26)/b24-14+
InChIKeyVNBLEJQPVMLCPQ-ZVHZXABRSA-N
MW439.31 g/mol
LogP5.23
Rot. Bonds7

About 2-[4-[(4-bromophenyl)iminomethyl]phenoxy]-N-(4-methoxyphenyl)acetamide

2-[4-[(4-bromophenyl)iminomethyl]phenoxy]-N-(4-methoxyphenyl)acetamide (PubChem CID 94832076) has the molecular formula C22H19BrN2O3 and a molecular weight of 439.31 g/mol. Its IUPAC name is 2-[4-[(4-bromophenyl)iminomethyl]phenoxy]-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[4-[(4-bromophenyl)iminomethyl]phenoxy]-N-(4-methoxyphenyl)acetamide
PubChem CID94832076
Molecular FormulaC22H19BrN2O3
Molecular Weight439.31 g/mol
Exact Mass438.06
IUPAC Name2-[4-[(4-bromophenyl)iminomethyl]phenoxy]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)COc2ccc(/C=N/c3ccc(Br)cc3)cc2)cc1
InChIInChI=1S/C22H19BrN2O3/c1-27-20-12-8-19(9-13-20)25-22(26)15-28-21-10-2-16(3-11-21)14-24-18-6-4-17(23)5-7-18/h2-14H,15H2,1H3,(H,25,26)/b24-14+
InChIKeyVNBLEJQPVMLCPQ-ZVHZXABRSA-N
XLogP5.23
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.31
LogP ≤ 55.23
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-[4-[(4-methoxyphenyl)iminomethyl]phenoxy]-N-phenylacetamide
CID 94832090
2-[4-[(4-bromophenyl)iminomethyl]phenoxy]-N-(2-methoxyphenyl)acetamide
CID 94832081
methyl 2-[4-[(4-bromophenyl)iminomethyl]phenoxy]acetate
CID 3677124
methyl 2-[4-[(4-methoxyphenyl)iminomethyl]phenoxy]acetate
CID 94832083
2-[2,6-dibromo-4-[(4-methoxyphenyl)iminomethyl]phenoxy]-N-phenylacetamide
CID 126218291
4-methoxy-N-[(Z)-[4-[2-(4-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide
CID 92850497
2-[4-[(Z)-[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]methyl]phenoxy]-N-phenylacetamide
CID 5429334
N-(4-acetamidophenyl)-2-(4-bromophenoxy)acetamide
CID 1097313
N-[4-[(4-ethoxyphenyl)methylideneamino]phenyl]propanamide
CID 835020
2-(4-bromophenoxy)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]acetamide
CID 1013312
N-(4-bromophenyl)-3-[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]butanamide
CID 3543666
[2-(4-bromoanilino)-2-oxoethyl] 3-(4-methoxyphenoxy)propanoate
CID 2358586

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-bromophenyl)iminomethyl]phenoxy]-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-[4-[(4-bromophenyl)iminomethyl]phenoxy]-N-(4-methoxyphenyl)acetamide (CID 94832076) is 2-[4-[(4-bromophenyl)iminomethyl]phenoxy]-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[4-[(4-bromophenyl)iminomethyl]phenoxy]-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-[4-[(4-bromophenyl)iminomethyl]phenoxy]-N-(4-methoxyphenyl)acetamide is COc1ccc(NC(=O)COc2ccc(/C=N/c3ccc(Br)cc3)cc2)cc1.
What is the InChIKey of 2-[4-[(4-bromophenyl)iminomethyl]phenoxy]-N-(4-methoxyphenyl)acetamide?
The InChIKey is VNBLEJQPVMLCPQ-ZVHZXABRSA-N. The full InChI is InChI=1S/C22H19BrN2O3/c1-27-20-12-8-19(9-13-20)25-22(26)15-28-21-10-2-16(3-11-21)14-24-18-6-4-17(23)5-7-18/h2-14H,15H2,1H3,(H,25,26)/b24-14+.
What are the key properties of 2-[4-[(4-bromophenyl)iminomethyl]phenoxy]-N-(4-methoxyphenyl)acetamide?
2-[4-[(4-bromophenyl)iminomethyl]phenoxy]-N-(4-methoxyphenyl)acetamide has a molecular weight of 439.31 g/mol, XLogP of 5.23, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-bromophenyl)iminomethyl]phenoxy]-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 94832076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).