2,2-bis(4-chlorophenyl)-2-hydroxy-N'-[2-(4-methylpiperazin-1-yl)acetyl]acetohydrazide

C21H24Cl2N4O3 — CID 3080429

IUPAC2,2-bis(4-chlorophenyl)-2-hydroxy-N'-[2-(4-methylpiperazin-1-yl)acetyl]acetohydrazide
SMILESCN1CCN(CC(=O)NNC(=O)C(O)(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C21H24Cl2N4O3/c1-26-10-12-27(13-11-26)14-19(28)24-25-20(29)21(30,15-2-6-17(22)7-3-15)16-4-8-18(23)9-5-16/h2-9,30H,10-14H2,1H3,(H,24,28)(H,25,29)
InChIKeyQVALAIFSXILETJ-UHFFFAOYSA-N
MW451.35 g/mol
LogP1.62
Rot. Bonds5

About 2,2-bis(4-chlorophenyl)-2-hydroxy-N'-[2-(4-methylpiperazin-1-yl)acetyl]acetohydrazide

2,2-bis(4-chlorophenyl)-2-hydroxy-N'-[2-(4-methylpiperazin-1-yl)acetyl]acetohydrazide (PubChem CID 3080429) has the molecular formula C21H24Cl2N4O3 and a molecular weight of 451.35 g/mol. Its IUPAC name is 2,2-bis(4-chlorophenyl)-2-hydroxy-N'-[2-(4-methylpiperazin-1-yl)acetyl]acetohydrazide.

Molecular Properties

Compound Name2,2-bis(4-chlorophenyl)-2-hydroxy-N'-[2-(4-methylpiperazin-1-yl)acetyl]acetohydrazide
PubChem CID3080429
Molecular FormulaC21H24Cl2N4O3
Molecular Weight451.35 g/mol
Exact Mass450.12
IUPAC Name2,2-bis(4-chlorophenyl)-2-hydroxy-N'-[2-(4-methylpiperazin-1-yl)acetyl]acetohydrazide
SMILESCN1CCN(CC(=O)NNC(=O)C(O)(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C21H24Cl2N4O3/c1-26-10-12-27(13-11-26)14-19(28)24-25-20(29)21(30,15-2-6-17(22)7-3-15)16-4-8-18(23)9-5-16/h2-9,30H,10-14H2,1H3,(H,24,28)(H,25,29)
InChIKeyQVALAIFSXILETJ-UHFFFAOYSA-N
XLogP1.62
TPSA84.91 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.35
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-bis(4-chlorophenyl)-2-hydroxy-N'-[2-(4-methylpiperazin-1-yl)acetyl]acetohydrazide?
The IUPAC name of 2,2-bis(4-chlorophenyl)-2-hydroxy-N'-[2-(4-methylpiperazin-1-yl)acetyl]acetohydrazide (CID 3080429) is 2,2-bis(4-chlorophenyl)-2-hydroxy-N'-[2-(4-methylpiperazin-1-yl)acetyl]acetohydrazide.
What is the SMILES notation for 2,2-bis(4-chlorophenyl)-2-hydroxy-N'-[2-(4-methylpiperazin-1-yl)acetyl]acetohydrazide?
The canonical SMILES for 2,2-bis(4-chlorophenyl)-2-hydroxy-N'-[2-(4-methylpiperazin-1-yl)acetyl]acetohydrazide is CN1CCN(CC(=O)NNC(=O)C(O)(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 2,2-bis(4-chlorophenyl)-2-hydroxy-N'-[2-(4-methylpiperazin-1-yl)acetyl]acetohydrazide?
The InChIKey is QVALAIFSXILETJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24Cl2N4O3/c1-26-10-12-27(13-11-26)14-19(28)24-25-20(29)21(30,15-2-6-17(22)7-3-15)16-4-8-18(23)9-5-16/h2-9,30H,10-14H2,1H3,(H,24,28)(H,25,29).
What are the key properties of 2,2-bis(4-chlorophenyl)-2-hydroxy-N'-[2-(4-methylpiperazin-1-yl)acetyl]acetohydrazide?
2,2-bis(4-chlorophenyl)-2-hydroxy-N'-[2-(4-methylpiperazin-1-yl)acetyl]acetohydrazide has a molecular weight of 451.35 g/mol, XLogP of 1.62, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(4-chlorophenyl)-2-hydroxy-N'-[2-(4-methylpiperazin-1-yl)acetyl]acetohydrazide is sourced from PubChem (CID 3080429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).