2-(4-bromophenoxy)-N-[(Z)-(2-methylphenyl)methylideneamino]acetamide

C16H15BrN2O2 — CID 5417368

IUPAC2-(4-bromophenoxy)-N-[(Z)-(2-methylphenyl)methylideneamino]acetamide
SMILESCc1ccccc1/C=N\NC(=O)COc1ccc(Br)cc1
InChIInChI=1S/C16H15BrN2O2/c1-12-4-2-3-5-13(12)10-18-19-16(20)11-21-15-8-6-14(17)7-9-15/h2-10H,11H2,1H3,(H,19,20)/b18-10-
InChIKeyIFVGRYGQIXIIDP-ZDLGFXPLSA-N
MW347.21 g/mol
LogP3.29
Rot. Bonds5

About 2-(4-bromophenoxy)-N-[(Z)-(2-methylphenyl)methylideneamino]acetamide

2-(4-bromophenoxy)-N-[(Z)-(2-methylphenyl)methylideneamino]acetamide (PubChem CID 5417368) has the molecular formula C16H15BrN2O2 and a molecular weight of 347.21 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-[(Z)-(2-methylphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N-[(Z)-(2-methylphenyl)methylideneamino]acetamide
PubChem CID5417368
Molecular FormulaC16H15BrN2O2
Molecular Weight347.21 g/mol
Exact Mass346.03
IUPAC Name2-(4-bromophenoxy)-N-[(Z)-(2-methylphenyl)methylideneamino]acetamide
SMILESCc1ccccc1/C=N\NC(=O)COc1ccc(Br)cc1
InChIInChI=1S/C16H15BrN2O2/c1-12-4-2-3-5-13(12)10-18-19-16(20)11-21-15-8-6-14(17)7-9-15/h2-10H,11H2,1H3,(H,19,20)/b18-10-
InChIKeyIFVGRYGQIXIIDP-ZDLGFXPLSA-N
XLogP3.29
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.21
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-methylphenoxy)-N-[(2-methylphenyl)methylideneamino]acetamide
CID 867406
2-(4-chlorophenoxy)-N-[(E)-(2-methylphenyl)methylideneamino]acetamide
CID 5334474
2-(4-bromophenoxy)-N-[(2,4-dimethylphenyl)methylideneamino]acetamide
CID 5120980
N-[(Z)-(2-methylphenyl)methylideneamino]-2-naphthalen-2-yloxyacetamide
CID 5428266
2-(4-chloro-3,5-dimethylphenoxy)-N-[(Z)-(2-methylphenyl)methylideneamino]acetamide
CID 5419126
2-(4-bromophenoxy)-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 135560371
2-(4-bromophenoxy)-N-[(Z)-(4-methylphenyl)methylideneamino]acetamide
CID 5427428
N-[(Z)-(2-bromophenyl)methylideneamino]-2-phenoxyacetamide
CID 5414432
2-(4-bromophenoxy)-N-[(E)-(4-hydroxy-3,5-dimethylphenyl)methylideneamino]acetamide
CID 135719912
2-(4-ethylphenoxy)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]acetamide
CID 136661291
N-[(2-bromophenyl)methylideneamino]-2-(4-chlorophenoxy)acetamide
CID 2311965
2-(4-bromophenoxy)-N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]acetamide
CID 19190726

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N-[(Z)-(2-methylphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(4-bromophenoxy)-N-[(Z)-(2-methylphenyl)methylideneamino]acetamide (CID 5417368) is 2-(4-bromophenoxy)-N-[(Z)-(2-methylphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(4-bromophenoxy)-N-[(Z)-(2-methylphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(4-bromophenoxy)-N-[(Z)-(2-methylphenyl)methylideneamino]acetamide is Cc1ccccc1/C=N\NC(=O)COc1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenoxy)-N-[(Z)-(2-methylphenyl)methylideneamino]acetamide?
The InChIKey is IFVGRYGQIXIIDP-ZDLGFXPLSA-N. The full InChI is InChI=1S/C16H15BrN2O2/c1-12-4-2-3-5-13(12)10-18-19-16(20)11-21-15-8-6-14(17)7-9-15/h2-10H,11H2,1H3,(H,19,20)/b18-10-.
What are the key properties of 2-(4-bromophenoxy)-N-[(Z)-(2-methylphenyl)methylideneamino]acetamide?
2-(4-bromophenoxy)-N-[(Z)-(2-methylphenyl)methylideneamino]acetamide has a molecular weight of 347.21 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-N-[(Z)-(2-methylphenyl)methylideneamino]acetamide is sourced from PubChem (CID 5417368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).