N-(6,7-difluoro-5-phenyl-1H-indazol-3-yl)butanamide

C17H15F2N3O — CID 22319609

IUPACN-(6,7-difluoro-5-phenyl-1H-indazol-3-yl)butanamide
SMILESCCCC(=O)Nc1n[nH]c2c(F)c(F)c(-c3ccccc3)cc12
InChIInChI=1S/C17H15F2N3O/c1-2-6-13(23)20-17-12-9-11(10-7-4-3-5-8-10)14(18)15(19)16(12)21-22-17/h3-5,7-9H,2,6H2,1H3,(H2,20,21,22,23)
InChIKeyTZFLUWBMBJLZQO-UHFFFAOYSA-N
MW315.32 g/mol
LogP4.25
Rot. Bonds4

About N-(6,7-difluoro-5-phenyl-1H-indazol-3-yl)butanamide

N-(6,7-difluoro-5-phenyl-1H-indazol-3-yl)butanamide (PubChem CID 22319609) has the molecular formula C17H15F2N3O and a molecular weight of 315.32 g/mol. Its IUPAC name is N-(6,7-difluoro-5-phenyl-1H-indazol-3-yl)butanamide.

Molecular Properties

Compound NameN-(6,7-difluoro-5-phenyl-1H-indazol-3-yl)butanamide
PubChem CID22319609
Molecular FormulaC17H15F2N3O
Molecular Weight315.32 g/mol
Exact Mass315.12
IUPAC NameN-(6,7-difluoro-5-phenyl-1H-indazol-3-yl)butanamide
SMILESCCCC(=O)Nc1n[nH]c2c(F)c(F)c(-c3ccccc3)cc12
InChIInChI=1S/C17H15F2N3O/c1-2-6-13(23)20-17-12-9-11(10-7-4-3-5-8-10)14(18)15(19)16(12)21-22-17/h3-5,7-9H,2,6H2,1H3,(H2,20,21,22,23)
InChIKeyTZFLUWBMBJLZQO-UHFFFAOYSA-N
XLogP4.25
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.32
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(6,7-difluoro-5-phenyl-1H-indazol-3-yl)butanamide?
The IUPAC name of N-(6,7-difluoro-5-phenyl-1H-indazol-3-yl)butanamide (CID 22319609) is N-(6,7-difluoro-5-phenyl-1H-indazol-3-yl)butanamide.
What is the SMILES notation for N-(6,7-difluoro-5-phenyl-1H-indazol-3-yl)butanamide?
The canonical SMILES for N-(6,7-difluoro-5-phenyl-1H-indazol-3-yl)butanamide is CCCC(=O)Nc1n[nH]c2c(F)c(F)c(-c3ccccc3)cc12.
What is the InChIKey of N-(6,7-difluoro-5-phenyl-1H-indazol-3-yl)butanamide?
The InChIKey is TZFLUWBMBJLZQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N3O/c1-2-6-13(23)20-17-12-9-11(10-7-4-3-5-8-10)14(18)15(19)16(12)21-22-17/h3-5,7-9H,2,6H2,1H3,(H2,20,21,22,23).
What are the key properties of N-(6,7-difluoro-5-phenyl-1H-indazol-3-yl)butanamide?
N-(6,7-difluoro-5-phenyl-1H-indazol-3-yl)butanamide has a molecular weight of 315.32 g/mol, XLogP of 4.25, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,7-difluoro-5-phenyl-1H-indazol-3-yl)butanamide is sourced from PubChem (CID 22319609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).