2-(2-chlorophenyl)-N-[1-(oxolan-2-ylmethyl)indazol-6-yl]acetamide

C20H20ClN3O2 — CID 164945436

IUPAC2-(2-chlorophenyl)-N-[1-(oxolan-2-ylmethyl)indazol-6-yl]acetamide
SMILESO=C(Cc1ccccc1Cl)Nc1ccc2cnn(CC3CCCO3)c2c1
InChIInChI=1S/C20H20ClN3O2/c21-18-6-2-1-4-14(18)10-20(25)23-16-8-7-15-12-22-24(19(15)11-16)13-17-5-3-9-26-17/h1-2,4,6-8,11-12,17H,3,5,9-10,13H2,(H,23,25)
InChIKeySJYGZFRKPKWYKB-UHFFFAOYSA-N
MW369.85 g/mol
LogP4.05
Rot. Bonds5

About 2-(2-chlorophenyl)-N-[1-(oxolan-2-ylmethyl)indazol-6-yl]acetamide

2-(2-chlorophenyl)-N-[1-(oxolan-2-ylmethyl)indazol-6-yl]acetamide (PubChem CID 164945436) has the molecular formula C20H20ClN3O2 and a molecular weight of 369.85 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-[1-(oxolan-2-ylmethyl)indazol-6-yl]acetamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-[1-(oxolan-2-ylmethyl)indazol-6-yl]acetamide
PubChem CID164945436
Molecular FormulaC20H20ClN3O2
Molecular Weight369.85 g/mol
Exact Mass369.12
IUPAC Name2-(2-chlorophenyl)-N-[1-(oxolan-2-ylmethyl)indazol-6-yl]acetamide
SMILESO=C(Cc1ccccc1Cl)Nc1ccc2cnn(CC3CCCO3)c2c1
InChIInChI=1S/C20H20ClN3O2/c21-18-6-2-1-4-14(18)10-20(25)23-16-8-7-15-12-22-24(19(15)11-16)13-17-5-3-9-26-17/h1-2,4,6-8,11-12,17H,3,5,9-10,13H2,(H,23,25)
InChIKeySJYGZFRKPKWYKB-UHFFFAOYSA-N
XLogP4.05
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.85
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-[1-(oxolan-2-ylmethyl)indazol-6-yl]acetamide?
The IUPAC name of 2-(2-chlorophenyl)-N-[1-(oxolan-2-ylmethyl)indazol-6-yl]acetamide (CID 164945436) is 2-(2-chlorophenyl)-N-[1-(oxolan-2-ylmethyl)indazol-6-yl]acetamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-[1-(oxolan-2-ylmethyl)indazol-6-yl]acetamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-[1-(oxolan-2-ylmethyl)indazol-6-yl]acetamide is O=C(Cc1ccccc1Cl)Nc1ccc2cnn(CC3CCCO3)c2c1.
What is the InChIKey of 2-(2-chlorophenyl)-N-[1-(oxolan-2-ylmethyl)indazol-6-yl]acetamide?
The InChIKey is SJYGZFRKPKWYKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O2/c21-18-6-2-1-4-14(18)10-20(25)23-16-8-7-15-12-22-24(19(15)11-16)13-17-5-3-9-26-17/h1-2,4,6-8,11-12,17H,3,5,9-10,13H2,(H,23,25).
What are the key properties of 2-(2-chlorophenyl)-N-[1-(oxolan-2-ylmethyl)indazol-6-yl]acetamide?
2-(2-chlorophenyl)-N-[1-(oxolan-2-ylmethyl)indazol-6-yl]acetamide has a molecular weight of 369.85 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-[1-(oxolan-2-ylmethyl)indazol-6-yl]acetamide is sourced from PubChem (CID 164945436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).