N-[6-(4-fluorophenyl)-1H-indazol-3-yl]butanamide

C17H16FN3O — CID 22319694

IUPACN-[6-(4-fluorophenyl)-1H-indazol-3-yl]butanamide
SMILESCCCC(=O)Nc1n[nH]c2cc(-c3ccc(F)cc3)ccc12
InChIInChI=1S/C17H16FN3O/c1-2-3-16(22)19-17-14-9-6-12(10-15(14)20-21-17)11-4-7-13(18)8-5-11/h4-10H,2-3H2,1H3,(H2,19,20,21,22)
InChIKeyORRUGYIZWSJRJU-UHFFFAOYSA-N
MW297.33 g/mol
LogP4.11
Rot. Bonds4

About N-[6-(4-fluorophenyl)-1H-indazol-3-yl]butanamide

N-[6-(4-fluorophenyl)-1H-indazol-3-yl]butanamide (PubChem CID 22319694) has the molecular formula C17H16FN3O and a molecular weight of 297.33 g/mol. Its IUPAC name is N-[6-(4-fluorophenyl)-1H-indazol-3-yl]butanamide.

Molecular Properties

Compound NameN-[6-(4-fluorophenyl)-1H-indazol-3-yl]butanamide
PubChem CID22319694
Molecular FormulaC17H16FN3O
Molecular Weight297.33 g/mol
Exact Mass297.13
IUPAC NameN-[6-(4-fluorophenyl)-1H-indazol-3-yl]butanamide
SMILESCCCC(=O)Nc1n[nH]c2cc(-c3ccc(F)cc3)ccc12
InChIInChI=1S/C17H16FN3O/c1-2-3-16(22)19-17-14-9-6-12(10-15(14)20-21-17)11-4-7-13(18)8-5-11/h4-10H,2-3H2,1H3,(H2,19,20,21,22)
InChIKeyORRUGYIZWSJRJU-UHFFFAOYSA-N
XLogP4.11
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[6-(4-fluorophenyl)-1H-indazol-3-yl]butanamide?
The IUPAC name of N-[6-(4-fluorophenyl)-1H-indazol-3-yl]butanamide (CID 22319694) is N-[6-(4-fluorophenyl)-1H-indazol-3-yl]butanamide.
What is the SMILES notation for N-[6-(4-fluorophenyl)-1H-indazol-3-yl]butanamide?
The canonical SMILES for N-[6-(4-fluorophenyl)-1H-indazol-3-yl]butanamide is CCCC(=O)Nc1n[nH]c2cc(-c3ccc(F)cc3)ccc12.
What is the InChIKey of N-[6-(4-fluorophenyl)-1H-indazol-3-yl]butanamide?
The InChIKey is ORRUGYIZWSJRJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O/c1-2-3-16(22)19-17-14-9-6-12(10-15(14)20-21-17)11-4-7-13(18)8-5-11/h4-10H,2-3H2,1H3,(H2,19,20,21,22).
What are the key properties of N-[6-(4-fluorophenyl)-1H-indazol-3-yl]butanamide?
N-[6-(4-fluorophenyl)-1H-indazol-3-yl]butanamide has a molecular weight of 297.33 g/mol, XLogP of 4.11, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-fluorophenyl)-1H-indazol-3-yl]butanamide is sourced from PubChem (CID 22319694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).