2-chloro-N-(1H-indazol-5-ylmethyl)acetamide

C10H10ClN3O — CID 165111572

IUPAC2-chloro-N-(1H-indazol-5-ylmethyl)acetamide
SMILESO=C(CCl)NCc1ccc2[nH]ncc2c1
InChIInChI=1S/C10H10ClN3O/c11-4-10(15)12-5-7-1-2-9-8(3-7)6-13-14-9/h1-3,6H,4-5H2,(H,12,15)(H,13,14)
InChIKeyISIFBXASHNTXOY-UHFFFAOYSA-N
MW223.66 g/mol
LogP1.42
Rot. Bonds3

About 2-chloro-N-(1H-indazol-5-ylmethyl)acetamide

2-chloro-N-(1H-indazol-5-ylmethyl)acetamide (PubChem CID 165111572) has the molecular formula C10H10ClN3O and a molecular weight of 223.66 g/mol. Its IUPAC name is 2-chloro-N-(1H-indazol-5-ylmethyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(1H-indazol-5-ylmethyl)acetamide
PubChem CID165111572
Molecular FormulaC10H10ClN3O
Molecular Weight223.66 g/mol
Exact Mass223.05
IUPAC Name2-chloro-N-(1H-indazol-5-ylmethyl)acetamide
SMILESO=C(CCl)NCc1ccc2[nH]ncc2c1
InChIInChI=1S/C10H10ClN3O/c11-4-10(15)12-5-7-1-2-9-8(3-7)6-13-14-9/h1-3,6H,4-5H2,(H,12,15)(H,13,14)
InChIKeyISIFBXASHNTXOY-UHFFFAOYSA-N
XLogP1.42
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.66
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1H-indazol-5-ylmethyl)acetamide?
The IUPAC name of 2-chloro-N-(1H-indazol-5-ylmethyl)acetamide (CID 165111572) is 2-chloro-N-(1H-indazol-5-ylmethyl)acetamide.
What is the SMILES notation for 2-chloro-N-(1H-indazol-5-ylmethyl)acetamide?
The canonical SMILES for 2-chloro-N-(1H-indazol-5-ylmethyl)acetamide is O=C(CCl)NCc1ccc2[nH]ncc2c1.
What is the InChIKey of 2-chloro-N-(1H-indazol-5-ylmethyl)acetamide?
The InChIKey is ISIFBXASHNTXOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O/c11-4-10(15)12-5-7-1-2-9-8(3-7)6-13-14-9/h1-3,6H,4-5H2,(H,12,15)(H,13,14).
What are the key properties of 2-chloro-N-(1H-indazol-5-ylmethyl)acetamide?
2-chloro-N-(1H-indazol-5-ylmethyl)acetamide has a molecular weight of 223.66 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1H-indazol-5-ylmethyl)acetamide is sourced from PubChem (CID 165111572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).