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

C25H28Cl4N4O6 — CID 3689924

IUPAC1-N',5-N'-bis[4-(2,4-dichlorophenoxy)butanoyl]pentanedihydrazide
SMILESO=C(CCCOc1ccc(Cl)cc1Cl)NNC(=O)CCCC(=O)NNC(=O)CCCOc1ccc(Cl)cc1Cl
InChIInChI=1S/C25H28Cl4N4O6/c26-16-8-10-20(18(28)14-16)38-12-2-6-24(36)32-30-22(34)4-1-5-23(35)31-33-25(37)7-3-13-39-21-11-9-17(27)15-19(21)29/h8-11,14-15H,1-7,12-13H2,(H,30,34)(H,31,35)(H,32,36)(H,33,37)
InChIKeyHLUZYXWFAZDAKW-UHFFFAOYSA-N
MW622.33 g/mol
LogP4.78
Rot. Bonds14

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

1-N',5-N'-bis[4-(2,4-dichlorophenoxy)butanoyl]pentanedihydrazide (PubChem CID 3689924) has the molecular formula C25H28Cl4N4O6 and a molecular weight of 622.33 g/mol. Its IUPAC name is 1-N',5-N'-bis[4-(2,4-dichlorophenoxy)butanoyl]pentanedihydrazide.

Molecular Properties

Compound Name1-N',5-N'-bis[4-(2,4-dichlorophenoxy)butanoyl]pentanedihydrazide
PubChem CID3689924
Molecular FormulaC25H28Cl4N4O6
Molecular Weight622.33 g/mol
Exact Mass620.08
IUPAC Name1-N',5-N'-bis[4-(2,4-dichlorophenoxy)butanoyl]pentanedihydrazide
SMILESO=C(CCCOc1ccc(Cl)cc1Cl)NNC(=O)CCCC(=O)NNC(=O)CCCOc1ccc(Cl)cc1Cl
InChIInChI=1S/C25H28Cl4N4O6/c26-16-8-10-20(18(28)14-16)38-12-2-6-24(36)32-30-22(34)4-1-5-23(35)31-33-25(37)7-3-13-39-21-11-9-17(27)15-19(21)29/h8-11,14-15H,1-7,12-13H2,(H,30,34)(H,31,35)(H,32,36)(H,33,37)
InChIKeyHLUZYXWFAZDAKW-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',9-N'-bis[2-(2,4-dichlorophenoxy)acetyl]nonanedihydrazide
CID 4513160
4-(2,4-dichlorophenoxy)-N-[4-[4-(2,4-dichlorophenoxy)butanoylamino]butyl]butanamide
CID 2841733
N'-[4-(2,4-dichlorophenoxy)butanoyl]-4-methylbenzohydrazide
CID 3270892
1-tert-butyl-3-[4-(2,4-dichlorophenoxy)butanoylamino]thiourea
CID 9425938
4-(4-acetyl-2-methoxyphenoxy)-N'-[4-(2,4-dichlorophenoxy)butanoyl]butanehydrazide
CID 55741701
N'-[2-(2-bromo-4,6-dichlorophenoxy)acetyl]-4-(2,4-dichlorophenoxy)butanehydrazide
CID 17096549
N'-[4-(2,4-dichlorophenoxy)butanoyl]-4-phenylbenzohydrazide
CID 3267153
N'-[4-(2,4-dichlorophenoxy)butanoyl]phenothiazine-10-carbohydrazide
CID 4928309
N'-[4-(2,4-dichlorophenoxy)butanoyl]-2-(2-methoxyethoxy)benzohydrazide
CID 17355597
4-(2,4-dichlorophenoxy)-N-ethoxybutanamide
CID 52540404

Frequently Asked Questions

What is the IUPAC name of 1-N',5-N'-bis[4-(2,4-dichlorophenoxy)butanoyl]pentanedihydrazide?
The IUPAC name of 1-N',5-N'-bis[4-(2,4-dichlorophenoxy)butanoyl]pentanedihydrazide (CID 3689924) is 1-N',5-N'-bis[4-(2,4-dichlorophenoxy)butanoyl]pentanedihydrazide.
What is the SMILES notation for 1-N',5-N'-bis[4-(2,4-dichlorophenoxy)butanoyl]pentanedihydrazide?
The canonical SMILES for 1-N',5-N'-bis[4-(2,4-dichlorophenoxy)butanoyl]pentanedihydrazide is O=C(CCCOc1ccc(Cl)cc1Cl)NNC(=O)CCCC(=O)NNC(=O)CCCOc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-N',5-N'-bis[4-(2,4-dichlorophenoxy)butanoyl]pentanedihydrazide?
The InChIKey is HLUZYXWFAZDAKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28Cl4N4O6/c26-16-8-10-20(18(28)14-16)38-12-2-6-24(36)32-30-22(34)4-1-5-23(35)31-33-25(37)7-3-13-39-21-11-9-17(27)15-19(21)29/h8-11,14-15H,1-7,12-13H2,(H,30,34)(H,31,35)(H,32,36)(H,33,37).
What are the key properties of 1-N',5-N'-bis[4-(2,4-dichlorophenoxy)butanoyl]pentanedihydrazide?
1-N',5-N'-bis[4-(2,4-dichlorophenoxy)butanoyl]pentanedihydrazide 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',5-N'-bis[4-(2,4-dichlorophenoxy)butanoyl]pentanedihydrazide is sourced from PubChem (CID 3689924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).