2-chloro-N'-[4-(5-chloro-2-pyridin-2-yl-1H-indol-3-yl)butanoyl]benzohydrazide

C24H20Cl2N4O2 — CID 18833018

IUPAC2-chloro-N'-[4-(5-chloro-2-pyridin-2-yl-1H-indol-3-yl)butanoyl]benzohydrazide
SMILESO=C(CCCc1c(-c2ccccn2)[nH]c2ccc(Cl)cc12)NNC(=O)c1ccccc1Cl
InChIInChI=1S/C24H20Cl2N4O2/c25-15-11-12-20-18(14-15)16(23(28-20)21-9-3-4-13-27-21)7-5-10-22(31)29-30-24(32)17-6-1-2-8-19(17)26/h1-4,6,8-9,11-14,28H,5,7,10H2,(H,29,31)(H,30,32)
InChIKeyVUUPUEDFWBCYFW-UHFFFAOYSA-N
MW467.36 g/mol
LogP5.32
Rot. Bonds6

About 2-chloro-N'-[4-(5-chloro-2-pyridin-2-yl-1H-indol-3-yl)butanoyl]benzohydrazide

2-chloro-N'-[4-(5-chloro-2-pyridin-2-yl-1H-indol-3-yl)butanoyl]benzohydrazide (PubChem CID 18833018) has the molecular formula C24H20Cl2N4O2 and a molecular weight of 467.36 g/mol. Its IUPAC name is 2-chloro-N'-[4-(5-chloro-2-pyridin-2-yl-1H-indol-3-yl)butanoyl]benzohydrazide.

Molecular Properties

Compound Name2-chloro-N'-[4-(5-chloro-2-pyridin-2-yl-1H-indol-3-yl)butanoyl]benzohydrazide
PubChem CID18833018
Molecular FormulaC24H20Cl2N4O2
Molecular Weight467.36 g/mol
Exact Mass466.10
IUPAC Name2-chloro-N'-[4-(5-chloro-2-pyridin-2-yl-1H-indol-3-yl)butanoyl]benzohydrazide
SMILESO=C(CCCc1c(-c2ccccn2)[nH]c2ccc(Cl)cc12)NNC(=O)c1ccccc1Cl
InChIInChI=1S/C24H20Cl2N4O2/c25-15-11-12-20-18(14-15)16(23(28-20)21-9-3-4-13-27-21)7-5-10-22(31)29-30-24(32)17-6-1-2-8-19(17)26/h1-4,6,8-9,11-14,28H,5,7,10H2,(H,29,31)(H,30,32)
InChIKeyVUUPUEDFWBCYFW-UHFFFAOYSA-N
XLogP5.32
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.36
LogP ≤ 55.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N'-[4-(5-chloro-2-pyridin-2-yl-1H-indol-3-yl)butanoyl]benzohydrazide?
The IUPAC name of 2-chloro-N'-[4-(5-chloro-2-pyridin-2-yl-1H-indol-3-yl)butanoyl]benzohydrazide (CID 18833018) is 2-chloro-N'-[4-(5-chloro-2-pyridin-2-yl-1H-indol-3-yl)butanoyl]benzohydrazide.
What is the SMILES notation for 2-chloro-N'-[4-(5-chloro-2-pyridin-2-yl-1H-indol-3-yl)butanoyl]benzohydrazide?
The canonical SMILES for 2-chloro-N'-[4-(5-chloro-2-pyridin-2-yl-1H-indol-3-yl)butanoyl]benzohydrazide is O=C(CCCc1c(-c2ccccn2)[nH]c2ccc(Cl)cc12)NNC(=O)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N'-[4-(5-chloro-2-pyridin-2-yl-1H-indol-3-yl)butanoyl]benzohydrazide?
The InChIKey is VUUPUEDFWBCYFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20Cl2N4O2/c25-15-11-12-20-18(14-15)16(23(28-20)21-9-3-4-13-27-21)7-5-10-22(31)29-30-24(32)17-6-1-2-8-19(17)26/h1-4,6,8-9,11-14,28H,5,7,10H2,(H,29,31)(H,30,32).
What are the key properties of 2-chloro-N'-[4-(5-chloro-2-pyridin-2-yl-1H-indol-3-yl)butanoyl]benzohydrazide?
2-chloro-N'-[4-(5-chloro-2-pyridin-2-yl-1H-indol-3-yl)butanoyl]benzohydrazide has a molecular weight of 467.36 g/mol, XLogP of 5.32, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-[4-(5-chloro-2-pyridin-2-yl-1H-indol-3-yl)butanoyl]benzohydrazide is sourced from PubChem (CID 18833018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).