N-[(4-chlorophenyl)methyl]-2-indazol-1-ylacetamide

C16H14ClN3O — CID 6625263

IUPACN-[(4-chlorophenyl)methyl]-2-indazol-1-ylacetamide
SMILESO=C(Cn1ncc2ccccc21)NCc1ccc(Cl)cc1
InChIInChI=1S/C16H14ClN3O/c17-14-7-5-12(6-8-14)9-18-16(21)11-20-15-4-2-1-3-13(15)10-19-20/h1-8,10H,9,11H2,(H,18,21)
InChIKeyZAWKQSFRZSRMCP-UHFFFAOYSA-N
MW299.76 g/mol
LogP3.01
Rot. Bonds4

About N-[(4-chlorophenyl)methyl]-2-indazol-1-ylacetamide

N-[(4-chlorophenyl)methyl]-2-indazol-1-ylacetamide (PubChem CID 6625263) has the molecular formula C16H14ClN3O and a molecular weight of 299.76 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-indazol-1-ylacetamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-indazol-1-ylacetamide
PubChem CID6625263
Molecular FormulaC16H14ClN3O
Molecular Weight299.76 g/mol
Exact Mass299.08
IUPAC NameN-[(4-chlorophenyl)methyl]-2-indazol-1-ylacetamide
SMILESO=C(Cn1ncc2ccccc21)NCc1ccc(Cl)cc1
InChIInChI=1S/C16H14ClN3O/c17-14-7-5-12(6-8-14)9-18-16(21)11-20-15-4-2-1-3-13(15)10-19-20/h1-8,10H,9,11H2,(H,18,21)
InChIKeyZAWKQSFRZSRMCP-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

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-indazol-1-ylacetamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-indazol-1-ylacetamide (CID 6625263) is N-[(4-chlorophenyl)methyl]-2-indazol-1-ylacetamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-indazol-1-ylacetamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-indazol-1-ylacetamide is O=C(Cn1ncc2ccccc21)NCc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-indazol-1-ylacetamide?
The InChIKey is ZAWKQSFRZSRMCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O/c17-14-7-5-12(6-8-14)9-18-16(21)11-20-15-4-2-1-3-13(15)10-19-20/h1-8,10H,9,11H2,(H,18,21).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-indazol-1-ylacetamide?
N-[(4-chlorophenyl)methyl]-2-indazol-1-ylacetamide 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-[(4-chlorophenyl)methyl]-2-indazol-1-ylacetamide is sourced from PubChem (CID 6625263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).