6-(4,6-dichloroindol-1-yl)hexanehydrazide

C14H17Cl2N3O — CID 103428130

IUPAC6-(4,6-dichloroindol-1-yl)hexanehydrazide
SMILESNNC(=O)CCCCCn1ccc2c(Cl)cc(Cl)cc21
InChIInChI=1S/C14H17Cl2N3O/c15-10-8-12(16)11-5-7-19(13(11)9-10)6-3-1-2-4-14(20)18-17/h5,7-9H,1-4,6,17H2,(H,18,20)
InChIKeyMYYYNEOTFCMVRB-UHFFFAOYSA-N
MW314.22 g/mol
LogP3.50
Rot. Bonds6

About 6-(4,6-dichloroindol-1-yl)hexanehydrazide

6-(4,6-dichloroindol-1-yl)hexanehydrazide (PubChem CID 103428130) has the molecular formula C14H17Cl2N3O and a molecular weight of 314.22 g/mol. Its IUPAC name is 6-(4,6-dichloroindol-1-yl)hexanehydrazide.

Molecular Properties

Compound Name6-(4,6-dichloroindol-1-yl)hexanehydrazide
PubChem CID103428130
Molecular FormulaC14H17Cl2N3O
Molecular Weight314.22 g/mol
Exact Mass313.07
IUPAC Name6-(4,6-dichloroindol-1-yl)hexanehydrazide
SMILESNNC(=O)CCCCCn1ccc2c(Cl)cc(Cl)cc21
InChIInChI=1S/C14H17Cl2N3O/c15-10-8-12(16)11-5-7-19(13(11)9-10)6-3-1-2-4-14(20)18-17/h5,7-9H,1-4,6,17H2,(H,18,20)
InChIKeyMYYYNEOTFCMVRB-UHFFFAOYSA-N
XLogP3.50
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.22
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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 6-(4,6-dichloroindol-1-yl)hexanehydrazide?
The IUPAC name of 6-(4,6-dichloroindol-1-yl)hexanehydrazide (CID 103428130) is 6-(4,6-dichloroindol-1-yl)hexanehydrazide.
What is the SMILES notation for 6-(4,6-dichloroindol-1-yl)hexanehydrazide?
The canonical SMILES for 6-(4,6-dichloroindol-1-yl)hexanehydrazide is NNC(=O)CCCCCn1ccc2c(Cl)cc(Cl)cc21.
What is the InChIKey of 6-(4,6-dichloroindol-1-yl)hexanehydrazide?
The InChIKey is MYYYNEOTFCMVRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2N3O/c15-10-8-12(16)11-5-7-19(13(11)9-10)6-3-1-2-4-14(20)18-17/h5,7-9H,1-4,6,17H2,(H,18,20).
What are the key properties of 6-(4,6-dichloroindol-1-yl)hexanehydrazide?
6-(4,6-dichloroindol-1-yl)hexanehydrazide has a molecular weight of 314.22 g/mol, XLogP of 3.50, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4,6-dichloroindol-1-yl)hexanehydrazide is sourced from PubChem (CID 103428130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).