2-(2,4-dibromophenoxy)-N-[(Z)-1-phenylpentylideneamino]acetamide

C19H20Br2N2O2 — CID 6527293

IUPAC2-(2,4-dibromophenoxy)-N-[(Z)-1-phenylpentylideneamino]acetamide
SMILESCCCC/C(=N/NC(=O)COc1ccc(Br)cc1Br)c1ccccc1
InChIInChI=1S/C19H20Br2N2O2/c1-2-3-9-17(14-7-5-4-6-8-14)22-23-19(24)13-25-18-11-10-15(20)12-16(18)21/h4-8,10-12H,2-3,9,13H2,1H3,(H,23,24)/b22-17-
InChIKeyHLWBVRHSKXSGLZ-XLNRJJMWSA-N
MW468.19 g/mol
LogP5.30
Rot. Bonds8

About 2-(2,4-dibromophenoxy)-N-[(Z)-1-phenylpentylideneamino]acetamide

2-(2,4-dibromophenoxy)-N-[(Z)-1-phenylpentylideneamino]acetamide (PubChem CID 6527293) has the molecular formula C19H20Br2N2O2 and a molecular weight of 468.19 g/mol. Its IUPAC name is 2-(2,4-dibromophenoxy)-N-[(Z)-1-phenylpentylideneamino]acetamide.

Molecular Properties

Compound Name2-(2,4-dibromophenoxy)-N-[(Z)-1-phenylpentylideneamino]acetamide
PubChem CID6527293
Molecular FormulaC19H20Br2N2O2
Molecular Weight468.19 g/mol
Exact Mass465.99
IUPAC Name2-(2,4-dibromophenoxy)-N-[(Z)-1-phenylpentylideneamino]acetamide
SMILESCCCC/C(=N/NC(=O)COc1ccc(Br)cc1Br)c1ccccc1
InChIInChI=1S/C19H20Br2N2O2/c1-2-3-9-17(14-7-5-4-6-8-14)22-23-19(24)13-25-18-11-10-15(20)12-16(18)21/h4-8,10-12H,2-3,9,13H2,1H3,(H,23,24)/b22-17-
InChIKeyHLWBVRHSKXSGLZ-XLNRJJMWSA-N
XLogP5.30
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.19
LogP ≤ 55.30
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-[(E)-1-phenylpentylideneamino]acetamide
CID 6123992
2-(2,4-dibromophenoxy)-N-[(E)-1-phenylpropylideneamino]acetamide
CID 6123990
N-[(Z)-1-phenylpentylideneamino]-2-(2-propan-2-ylphenoxy)acetamide
CID 6534609
2-(2-bromo-4-methoxyphenoxy)-N-(1-phenylpropylideneamino)acetamide
CID 4531701
2-(4-methoxyphenoxy)-N-(1-phenylpentylideneamino)acetamide
CID 3559145
2-(4-methylphenoxy)-N-(1-phenylpentylideneamino)acetamide
CID 4634362
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-methylphenoxy)-N-[(E)-heptan-2-ylideneamino]acetamide
CID 54784717
2-(2,5-dimethylphenoxy)-N-(1-phenylbutylideneamino)acetamide
CID 3304000
ethyl (3Z)-3-[[2-(2,4-dibromophenoxy)acetyl]hydrazinylidene]-2-methylbutanoate
CID 6124106
2-(4-bromo-2-chlorophenoxy)-N-[(2-methyl-1-phenylpropylidene)amino]acetamide
CID 4982201

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dibromophenoxy)-N-[(Z)-1-phenylpentylideneamino]acetamide?
The IUPAC name of 2-(2,4-dibromophenoxy)-N-[(Z)-1-phenylpentylideneamino]acetamide (CID 6527293) is 2-(2,4-dibromophenoxy)-N-[(Z)-1-phenylpentylideneamino]acetamide.
What is the SMILES notation for 2-(2,4-dibromophenoxy)-N-[(Z)-1-phenylpentylideneamino]acetamide?
The canonical SMILES for 2-(2,4-dibromophenoxy)-N-[(Z)-1-phenylpentylideneamino]acetamide is CCCC/C(=N/NC(=O)COc1ccc(Br)cc1Br)c1ccccc1.
What is the InChIKey of 2-(2,4-dibromophenoxy)-N-[(Z)-1-phenylpentylideneamino]acetamide?
The InChIKey is HLWBVRHSKXSGLZ-XLNRJJMWSA-N. The full InChI is InChI=1S/C19H20Br2N2O2/c1-2-3-9-17(14-7-5-4-6-8-14)22-23-19(24)13-25-18-11-10-15(20)12-16(18)21/h4-8,10-12H,2-3,9,13H2,1H3,(H,23,24)/b22-17-.
What are the key properties of 2-(2,4-dibromophenoxy)-N-[(Z)-1-phenylpentylideneamino]acetamide?
2-(2,4-dibromophenoxy)-N-[(Z)-1-phenylpentylideneamino]acetamide has a molecular weight of 468.19 g/mol, XLogP of 5.30, 8 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-[(Z)-1-phenylpentylideneamino]acetamide is sourced from PubChem (CID 6527293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).