N-benzyl-2-(6-chloroindazol-1-yl)acetamide

C16H14ClN3O — CID 22509966

IUPACN-benzyl-2-(6-chloroindazol-1-yl)acetamide
SMILESO=C(Cn1ncc2ccc(Cl)cc21)NCc1ccccc1
InChIInChI=1S/C16H14ClN3O/c17-14-7-6-13-10-19-20(15(13)8-14)11-16(21)18-9-12-4-2-1-3-5-12/h1-8,10H,9,11H2,(H,18,21)
InChIKeyFVOASTHKKRMHEE-UHFFFAOYSA-N
MW299.76 g/mol
LogP3.01
Rot. Bonds4

About N-benzyl-2-(6-chloroindazol-1-yl)acetamide

N-benzyl-2-(6-chloroindazol-1-yl)acetamide (PubChem CID 22509966) has the molecular formula C16H14ClN3O and a molecular weight of 299.76 g/mol. Its IUPAC name is N-benzyl-2-(6-chloroindazol-1-yl)acetamide.

Molecular Properties

Compound NameN-benzyl-2-(6-chloroindazol-1-yl)acetamide
PubChem CID22509966
Molecular FormulaC16H14ClN3O
Molecular Weight299.76 g/mol
Exact Mass299.08
IUPAC NameN-benzyl-2-(6-chloroindazol-1-yl)acetamide
SMILESO=C(Cn1ncc2ccc(Cl)cc21)NCc1ccccc1
InChIInChI=1S/C16H14ClN3O/c17-14-7-6-13-10-19-20(15(13)8-14)11-16(21)18-9-12-4-2-1-3-5-12/h1-8,10H,9,11H2,(H,18,21)
InChIKeyFVOASTHKKRMHEE-UHFFFAOYSA-N
XLogP3.01
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-benzyl-2-(6-chloroindazol-1-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(6-chloroindazol-1-yl)acetamide?
The IUPAC name of N-benzyl-2-(6-chloroindazol-1-yl)acetamide (CID 22509966) is N-benzyl-2-(6-chloroindazol-1-yl)acetamide.
What is the SMILES notation for N-benzyl-2-(6-chloroindazol-1-yl)acetamide?
The canonical SMILES for N-benzyl-2-(6-chloroindazol-1-yl)acetamide is O=C(Cn1ncc2ccc(Cl)cc21)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-(6-chloroindazol-1-yl)acetamide?
The InChIKey is FVOASTHKKRMHEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O/c17-14-7-6-13-10-19-20(15(13)8-14)11-16(21)18-9-12-4-2-1-3-5-12/h1-8,10H,9,11H2,(H,18,21).
What are the key properties of N-benzyl-2-(6-chloroindazol-1-yl)acetamide?
N-benzyl-2-(6-chloroindazol-1-yl)acetamide has a molecular weight of 299.76 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(6-chloroindazol-1-yl)acetamide is sourced from PubChem (CID 22509966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).