2-chloro-N-(1-propan-2-ylindazol-5-yl)acetamide

C12H14ClN3O — CID 166404074

IUPAC2-chloro-N-(1-propan-2-ylindazol-5-yl)acetamide
SMILESCC(C)n1ncc2cc(NC(=O)CCl)ccc21
InChIInChI=1S/C12H14ClN3O/c1-8(2)16-11-4-3-10(15-12(17)6-13)5-9(11)7-14-16/h3-5,7-8H,6H2,1-2H3,(H,15,17)
InChIKeyZITAPKOFOWLQHS-UHFFFAOYSA-N
MW251.72 g/mol
LogP2.79
Rot. Bonds3

About 2-chloro-N-(1-propan-2-ylindazol-5-yl)acetamide

2-chloro-N-(1-propan-2-ylindazol-5-yl)acetamide (PubChem CID 166404074) has the molecular formula C12H14ClN3O and a molecular weight of 251.72 g/mol. Its IUPAC name is 2-chloro-N-(1-propan-2-ylindazol-5-yl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(1-propan-2-ylindazol-5-yl)acetamide
PubChem CID166404074
Molecular FormulaC12H14ClN3O
Molecular Weight251.72 g/mol
Exact Mass251.08
IUPAC Name2-chloro-N-(1-propan-2-ylindazol-5-yl)acetamide
SMILESCC(C)n1ncc2cc(NC(=O)CCl)ccc21
InChIInChI=1S/C12H14ClN3O/c1-8(2)16-11-4-3-10(15-12(17)6-13)5-9(11)7-14-16/h3-5,7-8H,6H2,1-2H3,(H,15,17)
InChIKeyZITAPKOFOWLQHS-UHFFFAOYSA-N
XLogP2.79
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.72
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(1-propan-2-ylindazol-5-yl)acetamide?
The IUPAC name of 2-chloro-N-(1-propan-2-ylindazol-5-yl)acetamide (CID 166404074) is 2-chloro-N-(1-propan-2-ylindazol-5-yl)acetamide.
What is the SMILES notation for 2-chloro-N-(1-propan-2-ylindazol-5-yl)acetamide?
The canonical SMILES for 2-chloro-N-(1-propan-2-ylindazol-5-yl)acetamide is CC(C)n1ncc2cc(NC(=O)CCl)ccc21.
What is the InChIKey of 2-chloro-N-(1-propan-2-ylindazol-5-yl)acetamide?
The InChIKey is ZITAPKOFOWLQHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O/c1-8(2)16-11-4-3-10(15-12(17)6-13)5-9(11)7-14-16/h3-5,7-8H,6H2,1-2H3,(H,15,17).
What are the key properties of 2-chloro-N-(1-propan-2-ylindazol-5-yl)acetamide?
2-chloro-N-(1-propan-2-ylindazol-5-yl)acetamide has a molecular weight of 251.72 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1-propan-2-ylindazol-5-yl)acetamide is sourced from PubChem (CID 166404074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).