2-[2-bromo-4-[(2-methylphenyl)iminomethyl]phenoxy]-N-phenylacetamide

C22H19BrN2O2 — CID 126220676

IUPAC2-[2-bromo-4-[(2-methylphenyl)iminomethyl]phenoxy]-N-phenylacetamide
SMILESCc1ccccc1/N=C/c1ccc(OCC(=O)Nc2ccccc2)c(Br)c1
InChIInChI=1S/C22H19BrN2O2/c1-16-7-5-6-10-20(16)24-14-17-11-12-21(19(23)13-17)27-15-22(26)25-18-8-3-2-4-9-18/h2-14H,15H2,1H3,(H,25,26)/b24-14+
InChIKeyXXKJFABUHFSQSQ-ZVHZXABRSA-N
MW423.31 g/mol
LogP5.53
Rot. Bonds6

About 2-[2-bromo-4-[(2-methylphenyl)iminomethyl]phenoxy]-N-phenylacetamide

2-[2-bromo-4-[(2-methylphenyl)iminomethyl]phenoxy]-N-phenylacetamide (PubChem CID 126220676) has the molecular formula C22H19BrN2O2 and a molecular weight of 423.31 g/mol. Its IUPAC name is 2-[2-bromo-4-[(2-methylphenyl)iminomethyl]phenoxy]-N-phenylacetamide.

Molecular Properties

Compound Name2-[2-bromo-4-[(2-methylphenyl)iminomethyl]phenoxy]-N-phenylacetamide
PubChem CID126220676
Molecular FormulaC22H19BrN2O2
Molecular Weight423.31 g/mol
Exact Mass422.06
IUPAC Name2-[2-bromo-4-[(2-methylphenyl)iminomethyl]phenoxy]-N-phenylacetamide
SMILESCc1ccccc1/N=C/c1ccc(OCC(=O)Nc2ccccc2)c(Br)c1
InChIInChI=1S/C22H19BrN2O2/c1-16-7-5-6-10-20(16)24-14-17-11-12-21(19(23)13-17)27-15-22(26)25-18-8-3-2-4-9-18/h2-14H,15H2,1H3,(H,25,26)/b24-14+
InChIKeyXXKJFABUHFSQSQ-ZVHZXABRSA-N
XLogP5.53
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.31
LogP ≤ 55.53
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-bromo-4-[(4-ethylphenyl)iminomethyl]phenoxy]-N-phenylacetamide
CID 126219660
2-[2-chloro-4-[(5-chloro-2-methylphenyl)iminomethyl]phenoxy]-N-phenylacetamide
CID 126215405
2-[2-chloro-6-methoxy-4-[(2-methylphenyl)iminomethyl]phenoxy]-N-phenylacetamide
CID 126218854
2-[2-bromo-4-[(Z)-(ethylcarbamothioylhydrazinylidene)methyl]phenoxy]-N-phenylacetamide
CID 6174493
2-[2,6-dichloro-4-[(2-methylphenyl)iminomethyl]phenoxy]-N-(3-methylphenyl)acetamide
CID 126218596
2-[2,6-dibromo-4-[(3,4-dimethylphenyl)iminomethyl]phenoxy]-N-phenylacetamide
CID 126221588
2-[4-bromo-2-[(2,5-dimethylphenyl)iminomethyl]phenoxy]-N-phenylacetamide
CID 126206286
2-[4-bromo-2-[(2,4-dimethylphenyl)iminomethyl]phenoxy]-N-phenylacetamide
CID 126221517
2-[2-bromo-4-[(E)-hydroxyiminomethyl]phenoxy]-N-(3-chloro-4-methylphenyl)acetamide
CID 126268263
2-[2-chloro-6-methoxy-4-[(2-methylphenyl)iminomethyl]phenoxy]-N-(3-methylphenyl)acetamide
CID 126220627
2-[2,6-dibromo-4-[(4-methylphenyl)iminomethyl]phenoxy]-N-phenylacetamide
CID 126215354
2-[(E)-(3-bromo-4-phenylmethoxyphenyl)methylideneamino]oxy-N-(4-methylphenyl)acetamide
CID 124548221

Frequently Asked Questions

What is the IUPAC name of 2-[2-bromo-4-[(2-methylphenyl)iminomethyl]phenoxy]-N-phenylacetamide?
The IUPAC name of 2-[2-bromo-4-[(2-methylphenyl)iminomethyl]phenoxy]-N-phenylacetamide (CID 126220676) is 2-[2-bromo-4-[(2-methylphenyl)iminomethyl]phenoxy]-N-phenylacetamide.
What is the SMILES notation for 2-[2-bromo-4-[(2-methylphenyl)iminomethyl]phenoxy]-N-phenylacetamide?
The canonical SMILES for 2-[2-bromo-4-[(2-methylphenyl)iminomethyl]phenoxy]-N-phenylacetamide is Cc1ccccc1/N=C/c1ccc(OCC(=O)Nc2ccccc2)c(Br)c1.
What is the InChIKey of 2-[2-bromo-4-[(2-methylphenyl)iminomethyl]phenoxy]-N-phenylacetamide?
The InChIKey is XXKJFABUHFSQSQ-ZVHZXABRSA-N. The full InChI is InChI=1S/C22H19BrN2O2/c1-16-7-5-6-10-20(16)24-14-17-11-12-21(19(23)13-17)27-15-22(26)25-18-8-3-2-4-9-18/h2-14H,15H2,1H3,(H,25,26)/b24-14+.
What are the key properties of 2-[2-bromo-4-[(2-methylphenyl)iminomethyl]phenoxy]-N-phenylacetamide?
2-[2-bromo-4-[(2-methylphenyl)iminomethyl]phenoxy]-N-phenylacetamide has a molecular weight of 423.31 g/mol, XLogP of 5.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-bromo-4-[(2-methylphenyl)iminomethyl]phenoxy]-N-phenylacetamide is sourced from PubChem (CID 126220676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).