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

C11H11F2N3O — CID 11776377

IUPACN-(6,7-difluoro-1H-indazol-3-yl)butanamide
SMILESCCCC(=O)Nc1n[nH]c2c(F)c(F)ccc12
InChIInChI=1S/C11H11F2N3O/c1-2-3-8(17)14-11-6-4-5-7(12)9(13)10(6)15-16-11/h4-5H,2-3H2,1H3,(H2,14,15,16,17)
InChIKeyPEIFULAAYQSODW-UHFFFAOYSA-N
MW239.22 g/mol
LogP2.58
Rot. Bonds3

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

N-(6,7-difluoro-1H-indazol-3-yl)butanamide (PubChem CID 11776377) has the molecular formula C11H11F2N3O and a molecular weight of 239.22 g/mol. Its IUPAC name is N-(6,7-difluoro-1H-indazol-3-yl)butanamide.

Molecular Properties

Compound NameN-(6,7-difluoro-1H-indazol-3-yl)butanamide
PubChem CID11776377
Molecular FormulaC11H11F2N3O
Molecular Weight239.22 g/mol
Exact Mass239.09
IUPAC NameN-(6,7-difluoro-1H-indazol-3-yl)butanamide
SMILESCCCC(=O)Nc1n[nH]c2c(F)c(F)ccc12
InChIInChI=1S/C11H11F2N3O/c1-2-3-8(17)14-11-6-4-5-7(12)9(13)10(6)15-16-11/h4-5H,2-3H2,1H3,(H2,14,15,16,17)
InChIKeyPEIFULAAYQSODW-UHFFFAOYSA-N
XLogP2.58
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.22
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(6,7-difluoro-1H-indazol-3-yl)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(6,7-difluoro-1H-indazol-3-yl)butanamide?
The IUPAC name of N-(6,7-difluoro-1H-indazol-3-yl)butanamide (CID 11776377) is N-(6,7-difluoro-1H-indazol-3-yl)butanamide.
What is the SMILES notation for N-(6,7-difluoro-1H-indazol-3-yl)butanamide?
The canonical SMILES for N-(6,7-difluoro-1H-indazol-3-yl)butanamide is CCCC(=O)Nc1n[nH]c2c(F)c(F)ccc12.
What is the InChIKey of N-(6,7-difluoro-1H-indazol-3-yl)butanamide?
The InChIKey is PEIFULAAYQSODW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N3O/c1-2-3-8(17)14-11-6-4-5-7(12)9(13)10(6)15-16-11/h4-5H,2-3H2,1H3,(H2,14,15,16,17).
What are the key properties of N-(6,7-difluoro-1H-indazol-3-yl)butanamide?
N-(6,7-difluoro-1H-indazol-3-yl)butanamide has a molecular weight of 239.22 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,7-difluoro-1H-indazol-3-yl)butanamide is sourced from PubChem (CID 11776377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).