1-N',9-N'-bis[2-(2,4-dichlorophenoxy)acetyl]nonanedihydrazide

C25H28Cl4N4O6 — CID 4513160

IUPAC1-N',9-N'-bis[2-(2,4-dichlorophenoxy)acetyl]nonanedihydrazide
SMILESO=C(CCCCCCCC(=O)NNC(=O)COc1ccc(Cl)cc1Cl)NNC(=O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C25H28Cl4N4O6/c26-16-8-10-20(18(28)12-16)38-14-24(36)32-30-22(34)6-4-2-1-3-5-7-23(35)31-33-25(37)15-39-21-11-9-17(27)13-19(21)29/h8-13H,1-7,14-15H2,(H,30,34)(H,31,35)(H,32,36)(H,33,37)
InChIKeyBUVHJYCPNWIVSS-UHFFFAOYSA-N
MW622.33 g/mol
LogP4.78
Rot. Bonds14

About 1-N',9-N'-bis[2-(2,4-dichlorophenoxy)acetyl]nonanedihydrazide

1-N',9-N'-bis[2-(2,4-dichlorophenoxy)acetyl]nonanedihydrazide (PubChem CID 4513160) has the molecular formula C25H28Cl4N4O6 and a molecular weight of 622.33 g/mol. Its IUPAC name is 1-N',9-N'-bis[2-(2,4-dichlorophenoxy)acetyl]nonanedihydrazide.

Molecular Properties

Compound Name1-N',9-N'-bis[2-(2,4-dichlorophenoxy)acetyl]nonanedihydrazide
PubChem CID4513160
Molecular FormulaC25H28Cl4N4O6
Molecular Weight622.33 g/mol
Exact Mass620.08
IUPAC Name1-N',9-N'-bis[2-(2,4-dichlorophenoxy)acetyl]nonanedihydrazide
SMILESO=C(CCCCCCCC(=O)NNC(=O)COc1ccc(Cl)cc1Cl)NNC(=O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C25H28Cl4N4O6/c26-16-8-10-20(18(28)12-16)38-14-24(36)32-30-22(34)6-4-2-1-3-5-7-23(35)31-33-25(37)15-39-21-11-9-17(27)13-19(21)29/h8-13H,1-7,14-15H2,(H,30,34)(H,31,35)(H,32,36)(H,33,37)
InChIKeyBUVHJYCPNWIVSS-UHFFFAOYSA-N
XLogP4.78
TPSA134.86 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500622.33
LogP ≤ 54.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-N',5-N'-bis[2-(2,4-dichlorophenoxy)acetyl]pentanedihydrazide
CID 3363801
N'-[2-(2-bromo-4-chlorophenoxy)acetyl]-4-(2,4-dichlorophenoxy)butanehydrazide
CID 5229244
1-N',5-N'-bis[4-(2,4-dichlorophenoxy)butanoyl]pentanedihydrazide
CID 3689924
methyl 4-[2-[2-(2,4-dichlorophenoxy)acetyl]hydrazinyl]-4-oxobutanoate
CID 575319
2-(2,4-dichlorophenoxy)-N-(6-hydrazinyl-6-oxohexyl)acetamide
CID 68958426
N'-[2-(2,4-dichlorophenoxy)acetyl]-3-phenoxypropanehydrazide
CID 19168021
N'-[2-(4-bromo-2-chlorophenoxy)acetyl]tetradecanehydrazide
CID 54792058
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-(6-oxohexyl)acetamide
CID 89195114

Frequently Asked Questions

What is the IUPAC name of 1-N',9-N'-bis[2-(2,4-dichlorophenoxy)acetyl]nonanedihydrazide?
The IUPAC name of 1-N',9-N'-bis[2-(2,4-dichlorophenoxy)acetyl]nonanedihydrazide (CID 4513160) is 1-N',9-N'-bis[2-(2,4-dichlorophenoxy)acetyl]nonanedihydrazide.
What is the SMILES notation for 1-N',9-N'-bis[2-(2,4-dichlorophenoxy)acetyl]nonanedihydrazide?
The canonical SMILES for 1-N',9-N'-bis[2-(2,4-dichlorophenoxy)acetyl]nonanedihydrazide is O=C(CCCCCCCC(=O)NNC(=O)COc1ccc(Cl)cc1Cl)NNC(=O)COc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-N',9-N'-bis[2-(2,4-dichlorophenoxy)acetyl]nonanedihydrazide?
The InChIKey is BUVHJYCPNWIVSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28Cl4N4O6/c26-16-8-10-20(18(28)12-16)38-14-24(36)32-30-22(34)6-4-2-1-3-5-7-23(35)31-33-25(37)15-39-21-11-9-17(27)13-19(21)29/h8-13H,1-7,14-15H2,(H,30,34)(H,31,35)(H,32,36)(H,33,37).
What are the key properties of 1-N',9-N'-bis[2-(2,4-dichlorophenoxy)acetyl]nonanedihydrazide?
1-N',9-N'-bis[2-(2,4-dichlorophenoxy)acetyl]nonanedihydrazide has a molecular weight of 622.33 g/mol, XLogP of 4.78, 14 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N',9-N'-bis[2-(2,4-dichlorophenoxy)acetyl]nonanedihydrazide is sourced from PubChem (CID 4513160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).