N-(6-chloro-7-fluoro-5-phenyl-1H-indazol-3-yl)butanamide

C17H15ClFN3O — CID 46881853

IUPACN-(6-chloro-7-fluoro-5-phenyl-1H-indazol-3-yl)butanamide
SMILESCCCC(=O)Nc1n[nH]c2c(F)c(Cl)c(-c3ccccc3)cc12
InChIInChI=1S/C17H15ClFN3O/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)
InChIKeyPREQLWGLUIHGJV-UHFFFAOYSA-N
MW331.78 g/mol
LogP4.76
Rot. Bonds4

About N-(6-chloro-7-fluoro-5-phenyl-1H-indazol-3-yl)butanamide

N-(6-chloro-7-fluoro-5-phenyl-1H-indazol-3-yl)butanamide (PubChem CID 46881853) has the molecular formula C17H15ClFN3O and a molecular weight of 331.78 g/mol. Its IUPAC name is N-(6-chloro-7-fluoro-5-phenyl-1H-indazol-3-yl)butanamide.

Molecular Properties

Compound NameN-(6-chloro-7-fluoro-5-phenyl-1H-indazol-3-yl)butanamide
PubChem CID46881853
Molecular FormulaC17H15ClFN3O
Molecular Weight331.78 g/mol
Exact Mass331.09
IUPAC NameN-(6-chloro-7-fluoro-5-phenyl-1H-indazol-3-yl)butanamide
SMILESCCCC(=O)Nc1n[nH]c2c(F)c(Cl)c(-c3ccccc3)cc12
InChIInChI=1S/C17H15ClFN3O/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)
InChIKeyPREQLWGLUIHGJV-UHFFFAOYSA-N
XLogP4.76
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.78
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-7-fluoro-5-phenyl-1H-indazol-3-yl)butanamide?
The IUPAC name of N-(6-chloro-7-fluoro-5-phenyl-1H-indazol-3-yl)butanamide (CID 46881853) is N-(6-chloro-7-fluoro-5-phenyl-1H-indazol-3-yl)butanamide.
What is the SMILES notation for N-(6-chloro-7-fluoro-5-phenyl-1H-indazol-3-yl)butanamide?
The canonical SMILES for N-(6-chloro-7-fluoro-5-phenyl-1H-indazol-3-yl)butanamide is CCCC(=O)Nc1n[nH]c2c(F)c(Cl)c(-c3ccccc3)cc12.
What is the InChIKey of N-(6-chloro-7-fluoro-5-phenyl-1H-indazol-3-yl)butanamide?
The InChIKey is PREQLWGLUIHGJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClFN3O/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-chloro-7-fluoro-5-phenyl-1H-indazol-3-yl)butanamide?
N-(6-chloro-7-fluoro-5-phenyl-1H-indazol-3-yl)butanamide has a molecular weight of 331.78 g/mol, XLogP of 4.76, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-7-fluoro-5-phenyl-1H-indazol-3-yl)butanamide is sourced from PubChem (CID 46881853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).