N-(2,4-difluorophenyl)-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide

C16H17F2N3O — CID 5308897

IUPACN-(2,4-difluorophenyl)-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide
SMILESCC1CCc2nn(CC(=O)Nc3ccc(F)cc3F)cc2C1
InChIInChI=1S/C16H17F2N3O/c1-10-2-4-14-11(6-10)8-21(20-14)9-16(22)19-15-5-3-12(17)7-13(15)18/h3,5,7-8,10H,2,4,6,9H2,1H3,(H,19,22)
InChIKeyPPLLCVXNZPOPEG-UHFFFAOYSA-N
MW305.33 g/mol
LogP2.92
Rot. Bonds3

About N-(2,4-difluorophenyl)-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide

N-(2,4-difluorophenyl)-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide (PubChem CID 5308897) has the molecular formula C16H17F2N3O and a molecular weight of 305.33 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide
PubChem CID5308897
Molecular FormulaC16H17F2N3O
Molecular Weight305.33 g/mol
Exact Mass305.13
IUPAC NameN-(2,4-difluorophenyl)-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide
SMILESCC1CCc2nn(CC(=O)Nc3ccc(F)cc3F)cc2C1
InChIInChI=1S/C16H17F2N3O/c1-10-2-4-14-11(6-10)8-21(20-14)9-16(22)19-15-5-3-12(17)7-13(15)18/h3,5,7-8,10H,2,4,6,9H2,1H3,(H,19,22)
InChIKeyPPLLCVXNZPOPEG-UHFFFAOYSA-N
XLogP2.92
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide?
The IUPAC name of N-(2,4-difluorophenyl)-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide (CID 5308897) is N-(2,4-difluorophenyl)-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide?
The canonical SMILES for N-(2,4-difluorophenyl)-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide is CC1CCc2nn(CC(=O)Nc3ccc(F)cc3F)cc2C1.
What is the InChIKey of N-(2,4-difluorophenyl)-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide?
The InChIKey is PPLLCVXNZPOPEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N3O/c1-10-2-4-14-11(6-10)8-21(20-14)9-16(22)19-15-5-3-12(17)7-13(15)18/h3,5,7-8,10H,2,4,6,9H2,1H3,(H,19,22).
What are the key properties of N-(2,4-difluorophenyl)-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide?
N-(2,4-difluorophenyl)-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide has a molecular weight of 305.33 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide is sourced from PubChem (CID 5308897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).