2-(2,4-dibromophenoxy)-N-[(E)-1-phenylpropylideneamino]acetamide

C17H16Br2N2O2 — CID 6123990

IUPAC2-(2,4-dibromophenoxy)-N-[(E)-1-phenylpropylideneamino]acetamide
SMILESCC/C(=N\NC(=O)COc1ccc(Br)cc1Br)c1ccccc1
InChIInChI=1S/C17H16Br2N2O2/c1-2-15(12-6-4-3-5-7-12)20-21-17(22)11-23-16-9-8-13(18)10-14(16)19/h3-10H,2,11H2,1H3,(H,21,22)/b20-15+
InChIKeyOPZYJLNOCPRIJX-HMMYKYKNSA-N
MW440.14 g/mol
LogP4.52
Rot. Bonds6

About 2-(2,4-dibromophenoxy)-N-[(E)-1-phenylpropylideneamino]acetamide

2-(2,4-dibromophenoxy)-N-[(E)-1-phenylpropylideneamino]acetamide (PubChem CID 6123990) has the molecular formula C17H16Br2N2O2 and a molecular weight of 440.14 g/mol. Its IUPAC name is 2-(2,4-dibromophenoxy)-N-[(E)-1-phenylpropylideneamino]acetamide.

Molecular Properties

Compound Name2-(2,4-dibromophenoxy)-N-[(E)-1-phenylpropylideneamino]acetamide
PubChem CID6123990
Molecular FormulaC17H16Br2N2O2
Molecular Weight440.14 g/mol
Exact Mass437.96
IUPAC Name2-(2,4-dibromophenoxy)-N-[(E)-1-phenylpropylideneamino]acetamide
SMILESCC/C(=N\NC(=O)COc1ccc(Br)cc1Br)c1ccccc1
InChIInChI=1S/C17H16Br2N2O2/c1-2-15(12-6-4-3-5-7-12)20-21-17(22)11-23-16-9-8-13(18)10-14(16)19/h3-10H,2,11H2,1H3,(H,21,22)/b20-15+
InChIKeyOPZYJLNOCPRIJX-HMMYKYKNSA-N
XLogP4.52
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.14
LogP ≤ 54.52
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-(2,4-dibromophenoxy)-N-[(Z)-1-phenylpentylideneamino]acetamide
CID 6527293
2-(2,4-dibromophenoxy)-N-[(E)-1-phenylpentylideneamino]acetamide
CID 6123992
2-(2-bromo-4-methoxyphenoxy)-N-(1-phenylpropylideneamino)acetamide
CID 4531701
2-(1,6-dibromonaphthalen-2-yl)oxy-N-(1-phenylpropylideneamino)acetamide
CID 3352601
2-(4-bromo-2-chlorophenoxy)-N-(1-phenylethylideneamino)acetamide
CID 4632189
2-(4-bromo-2-chlorophenoxy)-N-[(2-methyl-1-phenylpropylidene)amino]acetamide
CID 4982201
1-(2,4-dibromophenoxy)butan-2-one
CID 62038524
2-(4-bromophenoxy)-N-[(Z)-1-(3,4-dimethoxyphenyl)propylideneamino]acetamide
CID 6534157
2-naphthalen-2-yloxy-N-[(Z)-1-phenylpropylideneamino]acetamide
CID 6534039
ethyl (3Z)-3-[[2-(2,4-dibromophenoxy)acetyl]hydrazinylidene]-2-methylbutanoate
CID 6124106
2-(4-bromophenoxy)-N-[(E)-1-(4-hydroxyphenyl)propylideneamino]acetamide
CID 135560385
N-[(E)-1-(5-bromo-2-hydroxyphenyl)propylideneamino]-2-(2-methoxyphenoxy)acetamide
CID 135674764

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dibromophenoxy)-N-[(E)-1-phenylpropylideneamino]acetamide?
The IUPAC name of 2-(2,4-dibromophenoxy)-N-[(E)-1-phenylpropylideneamino]acetamide (CID 6123990) is 2-(2,4-dibromophenoxy)-N-[(E)-1-phenylpropylideneamino]acetamide.
What is the SMILES notation for 2-(2,4-dibromophenoxy)-N-[(E)-1-phenylpropylideneamino]acetamide?
The canonical SMILES for 2-(2,4-dibromophenoxy)-N-[(E)-1-phenylpropylideneamino]acetamide is CC/C(=N\NC(=O)COc1ccc(Br)cc1Br)c1ccccc1.
What is the InChIKey of 2-(2,4-dibromophenoxy)-N-[(E)-1-phenylpropylideneamino]acetamide?
The InChIKey is OPZYJLNOCPRIJX-HMMYKYKNSA-N. The full InChI is InChI=1S/C17H16Br2N2O2/c1-2-15(12-6-4-3-5-7-12)20-21-17(22)11-23-16-9-8-13(18)10-14(16)19/h3-10H,2,11H2,1H3,(H,21,22)/b20-15+.
What are the key properties of 2-(2,4-dibromophenoxy)-N-[(E)-1-phenylpropylideneamino]acetamide?
2-(2,4-dibromophenoxy)-N-[(E)-1-phenylpropylideneamino]acetamide has a molecular weight of 440.14 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dibromophenoxy)-N-[(E)-1-phenylpropylideneamino]acetamide is sourced from PubChem (CID 6123990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).