N-(6-chloro-1H-indazol-3-yl)-4-hexoxybenzamide

C20H22ClN3O2 — CID 3272149

IUPACN-(6-chloro-1H-indazol-3-yl)-4-hexoxybenzamide
SMILESCCCCCCOc1ccc(C(=O)Nc2n[nH]c3cc(Cl)ccc23)cc1
InChIInChI=1S/C20H22ClN3O2/c1-2-3-4-5-12-26-16-9-6-14(7-10-16)20(25)22-19-17-11-8-15(21)13-18(17)23-24-19/h6-11,13H,2-5,12H2,1H3,(H2,22,23,24,25)
InChIKeyVIUDBQFHKZLPEN-UHFFFAOYSA-N
MW371.87 g/mol
LogP5.43
Rot. Bonds8

About N-(6-chloro-1H-indazol-3-yl)-4-hexoxybenzamide

N-(6-chloro-1H-indazol-3-yl)-4-hexoxybenzamide (PubChem CID 3272149) has the molecular formula C20H22ClN3O2 and a molecular weight of 371.87 g/mol. Its IUPAC name is N-(6-chloro-1H-indazol-3-yl)-4-hexoxybenzamide.

Molecular Properties

Compound NameN-(6-chloro-1H-indazol-3-yl)-4-hexoxybenzamide
PubChem CID3272149
Molecular FormulaC20H22ClN3O2
Molecular Weight371.87 g/mol
Exact Mass371.14
IUPAC NameN-(6-chloro-1H-indazol-3-yl)-4-hexoxybenzamide
SMILESCCCCCCOc1ccc(C(=O)Nc2n[nH]c3cc(Cl)ccc23)cc1
InChIInChI=1S/C20H22ClN3O2/c1-2-3-4-5-12-26-16-9-6-14(7-10-16)20(25)22-19-17-11-8-15(21)13-18(17)23-24-19/h6-11,13H,2-5,12H2,1H3,(H2,22,23,24,25)
InChIKeyVIUDBQFHKZLPEN-UHFFFAOYSA-N
XLogP5.43
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.87
LogP ≤ 55.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-1H-indazol-3-yl)-4-hexoxybenzamide?
The IUPAC name of N-(6-chloro-1H-indazol-3-yl)-4-hexoxybenzamide (CID 3272149) is N-(6-chloro-1H-indazol-3-yl)-4-hexoxybenzamide.
What is the SMILES notation for N-(6-chloro-1H-indazol-3-yl)-4-hexoxybenzamide?
The canonical SMILES for N-(6-chloro-1H-indazol-3-yl)-4-hexoxybenzamide is CCCCCCOc1ccc(C(=O)Nc2n[nH]c3cc(Cl)ccc23)cc1.
What is the InChIKey of N-(6-chloro-1H-indazol-3-yl)-4-hexoxybenzamide?
The InChIKey is VIUDBQFHKZLPEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O2/c1-2-3-4-5-12-26-16-9-6-14(7-10-16)20(25)22-19-17-11-8-15(21)13-18(17)23-24-19/h6-11,13H,2-5,12H2,1H3,(H2,22,23,24,25).
What are the key properties of N-(6-chloro-1H-indazol-3-yl)-4-hexoxybenzamide?
N-(6-chloro-1H-indazol-3-yl)-4-hexoxybenzamide has a molecular weight of 371.87 g/mol, XLogP of 5.43, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-1H-indazol-3-yl)-4-hexoxybenzamide is sourced from PubChem (CID 3272149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).