2-(5-chloro-3-phenylindazol-1-yl)-N-propylacetamide

C18H18ClN3O — CID 20877322

IUPAC2-(5-chloro-3-phenylindazol-1-yl)-N-propylacetamide
SMILESCCCNC(=O)Cn1nc(-c2ccccc2)c2cc(Cl)ccc21
InChIInChI=1S/C18H18ClN3O/c1-2-10-20-17(23)12-22-16-9-8-14(19)11-15(16)18(21-22)13-6-4-3-5-7-13/h3-9,11H,2,10,12H2,1H3,(H,20,23)
InChIKeyZOQWFOUDZMHTBG-UHFFFAOYSA-N
MW327.81 g/mol
LogP3.88
Rot. Bonds5

About 2-(5-chloro-3-phenylindazol-1-yl)-N-propylacetamide

2-(5-chloro-3-phenylindazol-1-yl)-N-propylacetamide (PubChem CID 20877322) has the molecular formula C18H18ClN3O and a molecular weight of 327.81 g/mol. Its IUPAC name is 2-(5-chloro-3-phenylindazol-1-yl)-N-propylacetamide.

Molecular Properties

Compound Name2-(5-chloro-3-phenylindazol-1-yl)-N-propylacetamide
PubChem CID20877322
Molecular FormulaC18H18ClN3O
Molecular Weight327.81 g/mol
Exact Mass327.11
IUPAC Name2-(5-chloro-3-phenylindazol-1-yl)-N-propylacetamide
SMILESCCCNC(=O)Cn1nc(-c2ccccc2)c2cc(Cl)ccc21
InChIInChI=1S/C18H18ClN3O/c1-2-10-20-17(23)12-22-16-9-8-14(19)11-15(16)18(21-22)13-6-4-3-5-7-13/h3-9,11H,2,10,12H2,1H3,(H,20,23)
InChIKeyZOQWFOUDZMHTBG-UHFFFAOYSA-N
XLogP3.88
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.81
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-3-phenylindazol-1-yl)-N-propylacetamide?
The IUPAC name of 2-(5-chloro-3-phenylindazol-1-yl)-N-propylacetamide (CID 20877322) is 2-(5-chloro-3-phenylindazol-1-yl)-N-propylacetamide.
What is the SMILES notation for 2-(5-chloro-3-phenylindazol-1-yl)-N-propylacetamide?
The canonical SMILES for 2-(5-chloro-3-phenylindazol-1-yl)-N-propylacetamide is CCCNC(=O)Cn1nc(-c2ccccc2)c2cc(Cl)ccc21.
What is the InChIKey of 2-(5-chloro-3-phenylindazol-1-yl)-N-propylacetamide?
The InChIKey is ZOQWFOUDZMHTBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O/c1-2-10-20-17(23)12-22-16-9-8-14(19)11-15(16)18(21-22)13-6-4-3-5-7-13/h3-9,11H,2,10,12H2,1H3,(H,20,23).
What are the key properties of 2-(5-chloro-3-phenylindazol-1-yl)-N-propylacetamide?
2-(5-chloro-3-phenylindazol-1-yl)-N-propylacetamide has a molecular weight of 327.81 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-3-phenylindazol-1-yl)-N-propylacetamide is sourced from PubChem (CID 20877322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).