1-N',5-N'-bis[2-(2,4-dichlorophenoxy)acetyl]pentanedihydrazide

C21H20Cl4N4O6 — CID 3363801

IUPAC1-N',5-N'-bis[2-(2,4-dichlorophenoxy)acetyl]pentanedihydrazide
SMILESO=C(CCCC(=O)NNC(=O)COc1ccc(Cl)cc1Cl)NNC(=O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C21H20Cl4N4O6/c22-12-4-6-16(14(24)8-12)34-10-20(32)28-26-18(30)2-1-3-19(31)27-29-21(33)11-35-17-7-5-13(23)9-15(17)25/h4-9H,1-3,10-11H2,(H,26,30)(H,27,31)(H,28,32)(H,29,33)
InChIKeyOIHWBRLENMMXIU-UHFFFAOYSA-N
MW566.23 g/mol
LogP3.22
Rot. Bonds10

About 1-N',5-N'-bis[2-(2,4-dichlorophenoxy)acetyl]pentanedihydrazide

1-N',5-N'-bis[2-(2,4-dichlorophenoxy)acetyl]pentanedihydrazide (PubChem CID 3363801) has the molecular formula C21H20Cl4N4O6 and a molecular weight of 566.23 g/mol. Its IUPAC name is 1-N',5-N'-bis[2-(2,4-dichlorophenoxy)acetyl]pentanedihydrazide.

Molecular Properties

Compound Name1-N',5-N'-bis[2-(2,4-dichlorophenoxy)acetyl]pentanedihydrazide
PubChem CID3363801
Molecular FormulaC21H20Cl4N4O6
Molecular Weight566.23 g/mol
Exact Mass564.01
IUPAC Name1-N',5-N'-bis[2-(2,4-dichlorophenoxy)acetyl]pentanedihydrazide
SMILESO=C(CCCC(=O)NNC(=O)COc1ccc(Cl)cc1Cl)NNC(=O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C21H20Cl4N4O6/c22-12-4-6-16(14(24)8-12)34-10-20(32)28-26-18(30)2-1-3-19(31)27-29-21(33)11-35-17-7-5-13(23)9-15(17)25/h4-9H,1-3,10-11H2,(H,26,30)(H,27,31)(H,28,32)(H,29,33)
InChIKeyOIHWBRLENMMXIU-UHFFFAOYSA-N
XLogP3.22
TPSA134.86 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500566.23
LogP ≤ 53.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-N',9-N'-bis[2-(2,4-dichlorophenoxy)acetyl]nonanedihydrazide
CID 4513160
1-N',5-N'-bis[4-(2,4-dichlorophenoxy)butanoyl]pentanedihydrazide
CID 3689924
N'-[2-(2-bromo-4-chlorophenoxy)acetyl]-4-(2,4-dichlorophenoxy)butanehydrazide
CID 5229244
methyl 4-[2-[2-(2,4-dichlorophenoxy)acetyl]hydrazinyl]-4-oxobutanoate
CID 575319
N'-[2-(2,4-dichlorophenoxy)acetyl]-3-phenoxypropanehydrazide
CID 19168021
N'-[2-(2-bromo-4,6-dichlorophenoxy)acetyl]-4-(2,4-dichlorophenoxy)butanehydrazide
CID 17096549
N'-[2-(2-bromo-4-propan-2-ylphenoxy)acetyl]-4-(2,4-dichlorophenoxy)butanehydrazide
CID 3329498
potassium 2-(2,4-dichlorophenoxy)-N-oxidoacetamide
CID 23697377
2-(2,4-dichlorophenoxy)-N'-[2-(2,4-dichlorophenoxy)acetyl]propanehydrazide
CID 3120230
2-(2,4-dichlorophenoxy)-N-[(2S)-3-methylbutan-2-yl]acetamide
CID 94223668
2-(2,4-dichlorophenoxy)-N-(4-hydroxyphenyl)acetamide
CID 976414
N'-[2-(2,4-dichlorophenoxy)acetyl]-2-naphthalen-2-yloxyacetohydrazide
CID 4513496

Frequently Asked Questions

What is the IUPAC name of 1-N',5-N'-bis[2-(2,4-dichlorophenoxy)acetyl]pentanedihydrazide?
The IUPAC name of 1-N',5-N'-bis[2-(2,4-dichlorophenoxy)acetyl]pentanedihydrazide (CID 3363801) is 1-N',5-N'-bis[2-(2,4-dichlorophenoxy)acetyl]pentanedihydrazide.
What is the SMILES notation for 1-N',5-N'-bis[2-(2,4-dichlorophenoxy)acetyl]pentanedihydrazide?
The canonical SMILES for 1-N',5-N'-bis[2-(2,4-dichlorophenoxy)acetyl]pentanedihydrazide is O=C(CCCC(=O)NNC(=O)COc1ccc(Cl)cc1Cl)NNC(=O)COc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-N',5-N'-bis[2-(2,4-dichlorophenoxy)acetyl]pentanedihydrazide?
The InChIKey is OIHWBRLENMMXIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20Cl4N4O6/c22-12-4-6-16(14(24)8-12)34-10-20(32)28-26-18(30)2-1-3-19(31)27-29-21(33)11-35-17-7-5-13(23)9-15(17)25/h4-9H,1-3,10-11H2,(H,26,30)(H,27,31)(H,28,32)(H,29,33).
What are the key properties of 1-N',5-N'-bis[2-(2,4-dichlorophenoxy)acetyl]pentanedihydrazide?
1-N',5-N'-bis[2-(2,4-dichlorophenoxy)acetyl]pentanedihydrazide has a molecular weight of 566.23 g/mol, XLogP of 3.22, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N',5-N'-bis[2-(2,4-dichlorophenoxy)acetyl]pentanedihydrazide is sourced from PubChem (CID 3363801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).