1-N',5-N'-bis(4-chlorobenzoyl)pentanedihydrazide

C19H18Cl2N4O4 — CID 3361883

IUPAC1-N',5-N'-bis(4-chlorobenzoyl)pentanedihydrazide
SMILESO=C(CCCC(=O)NNC(=O)c1ccc(Cl)cc1)NNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H18Cl2N4O4/c20-14-8-4-12(5-9-14)18(28)24-22-16(26)2-1-3-17(27)23-25-19(29)13-6-10-15(21)11-7-13/h4-11H,1-3H2,(H,22,26)(H,23,27)(H,24,28)(H,25,29)
InChIKeyWETHYUXYNJSNJS-UHFFFAOYSA-N
MW437.28 g/mol
LogP2.39
Rot. Bonds6

About 1-N',5-N'-bis(4-chlorobenzoyl)pentanedihydrazide

1-N',5-N'-bis(4-chlorobenzoyl)pentanedihydrazide (PubChem CID 3361883) has the molecular formula C19H18Cl2N4O4 and a molecular weight of 437.28 g/mol. Its IUPAC name is 1-N',5-N'-bis(4-chlorobenzoyl)pentanedihydrazide.

Molecular Properties

Compound Name1-N',5-N'-bis(4-chlorobenzoyl)pentanedihydrazide
PubChem CID3361883
Molecular FormulaC19H18Cl2N4O4
Molecular Weight437.28 g/mol
Exact Mass436.07
IUPAC Name1-N',5-N'-bis(4-chlorobenzoyl)pentanedihydrazide
SMILESO=C(CCCC(=O)NNC(=O)c1ccc(Cl)cc1)NNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H18Cl2N4O4/c20-14-8-4-12(5-9-14)18(28)24-22-16(26)2-1-3-17(27)23-25-19(29)13-6-10-15(21)11-7-13/h4-11H,1-3H2,(H,22,26)(H,23,27)(H,24,28)(H,25,29)
InChIKeyWETHYUXYNJSNJS-UHFFFAOYSA-N
XLogP2.39
TPSA116.40 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.28
LogP ≤ 52.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N'-[4-(4-ethoxyphenoxy)butanoyl]benzohydrazide
CID 8014621
4-[2-(4-chlorobenzoyl)hydrazinyl]-4-oxo-N-phenylbutanamide
CID 3516495
4-amino-N'-(4-chlorobenzoyl)benzohydrazide
CID 785216
4-chloro-N-[3-[2-(4-fluorobenzoyl)hydrazinyl]-3-oxopropyl]benzamide
CID 4795367
4-chloro-N'-(3,3-dimethylbutanoyl)benzohydrazide
CID 38768638
1-N',6-N'-bis(4-tert-butylbenzoyl)hexanedihydrazide
CID 4209045
5-[2-(4-bromobenzoyl)hydrazinyl]-5-oxopentanoic acid
CID 15380519
4-bromo-N'-[3-(4-chlorophenoxy)propanoyl]benzohydrazide
CID 78876899
N-[2-(2-benzoylhydrazinyl)-2-oxoethyl]-4-chlorobenzamide
CID 9414874
N'-[2-(4-chlorophenyl)acetyl]-4-methylbenzohydrazide
CID 4936719
4-chloro-N'-[2-(2,4-dichlorophenyl)acetyl]benzohydrazide
CID 7971635
N'-acetyl-4-chlorobenzohydrazide
CID 799230

Frequently Asked Questions

What is the IUPAC name of 1-N',5-N'-bis(4-chlorobenzoyl)pentanedihydrazide?
The IUPAC name of 1-N',5-N'-bis(4-chlorobenzoyl)pentanedihydrazide (CID 3361883) is 1-N',5-N'-bis(4-chlorobenzoyl)pentanedihydrazide.
What is the SMILES notation for 1-N',5-N'-bis(4-chlorobenzoyl)pentanedihydrazide?
The canonical SMILES for 1-N',5-N'-bis(4-chlorobenzoyl)pentanedihydrazide is O=C(CCCC(=O)NNC(=O)c1ccc(Cl)cc1)NNC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 1-N',5-N'-bis(4-chlorobenzoyl)pentanedihydrazide?
The InChIKey is WETHYUXYNJSNJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N4O4/c20-14-8-4-12(5-9-14)18(28)24-22-16(26)2-1-3-17(27)23-25-19(29)13-6-10-15(21)11-7-13/h4-11H,1-3H2,(H,22,26)(H,23,27)(H,24,28)(H,25,29).
What are the key properties of 1-N',5-N'-bis(4-chlorobenzoyl)pentanedihydrazide?
1-N',5-N'-bis(4-chlorobenzoyl)pentanedihydrazide has a molecular weight of 437.28 g/mol, XLogP of 2.39, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N',5-N'-bis(4-chlorobenzoyl)pentanedihydrazide is sourced from PubChem (CID 3361883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).