N-[6-(2,5-difluorophenyl)-1H-indazol-3-yl]butanamide

C17H15F2N3O — CID 69065883

IUPACN-[6-(2,5-difluorophenyl)-1H-indazol-3-yl]butanamide
SMILESCCCC(=O)Nc1n[nH]c2cc(-c3cc(F)ccc3F)ccc12
InChIInChI=1S/C17H15F2N3O/c1-2-3-16(23)20-17-12-6-4-10(8-15(12)21-22-17)13-9-11(18)5-7-14(13)19/h4-9H,2-3H2,1H3,(H2,20,21,22,23)
InChIKeyXYMBSQSDFYPGAM-UHFFFAOYSA-N
MW315.32 g/mol
LogP4.25
Rot. Bonds4

About N-[6-(2,5-difluorophenyl)-1H-indazol-3-yl]butanamide

N-[6-(2,5-difluorophenyl)-1H-indazol-3-yl]butanamide (PubChem CID 69065883) has the molecular formula C17H15F2N3O and a molecular weight of 315.32 g/mol. Its IUPAC name is N-[6-(2,5-difluorophenyl)-1H-indazol-3-yl]butanamide.

Molecular Properties

Compound NameN-[6-(2,5-difluorophenyl)-1H-indazol-3-yl]butanamide
PubChem CID69065883
Molecular FormulaC17H15F2N3O
Molecular Weight315.32 g/mol
Exact Mass315.12
IUPAC NameN-[6-(2,5-difluorophenyl)-1H-indazol-3-yl]butanamide
SMILESCCCC(=O)Nc1n[nH]c2cc(-c3cc(F)ccc3F)ccc12
InChIInChI=1S/C17H15F2N3O/c1-2-3-16(23)20-17-12-6-4-10(8-15(12)21-22-17)13-9-11(18)5-7-14(13)19/h4-9H,2-3H2,1H3,(H2,20,21,22,23)
InChIKeyXYMBSQSDFYPGAM-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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Related Compounds

[2-[[6-(2,5-difluorophenyl)-1H-indazol-3-yl]amino]-2-oxoethyl] acetate
CID 69064232
N-[6-(4-chlorophenyl)-1H-indazol-3-yl]butanamide
CID 22319587
N-[6-(4-methylsulfanylphenyl)-1H-indazol-3-yl]butanamide
CID 22319566
[2-[[6-(5-fluoro-2-methoxyphenyl)-1H-indazol-3-yl]amino]-2-oxoethyl] acetate
CID 69069713
3-cyclopentyl-N-[6-(5-fluoro-2-methoxyphenyl)-1H-indazol-3-yl]propanamide
CID 69064491
N-[5,6-bis(4-hydroxyphenyl)-1H-indazol-3-yl]butanamide
CID 135848037
2,3,6-trifluoro-N-[6-(5-fluoro-2-methoxyphenyl)-1H-indazol-3-yl]benzamide
CID 69069464
N-[6-(5-fluoro-2-methoxyphenyl)-1H-indazol-3-yl]-2-phenylmethoxyacetamide
CID 69064500
N-[6-(4-chlorophenyl)-1H-indazol-3-yl]-N'-hydroxyoctanediamide
CID 162667220
2-cyclopentyl-N-[6-(4-fluorophenyl)-1H-indazol-3-yl]acetamide
CID 69060428
N-[6-(2-fluorophenyl)-1H-indazol-3-yl]-2-(3-methoxyphenyl)acetamide
CID 69061853
2-(4-chlorophenoxy)-N-[6-(2-ethoxyphenyl)-1H-indazol-3-yl]acetamide
CID 69069808

Frequently Asked Questions

What is the IUPAC name of N-[6-(2,5-difluorophenyl)-1H-indazol-3-yl]butanamide?
The IUPAC name of N-[6-(2,5-difluorophenyl)-1H-indazol-3-yl]butanamide (CID 69065883) is N-[6-(2,5-difluorophenyl)-1H-indazol-3-yl]butanamide.
What is the SMILES notation for N-[6-(2,5-difluorophenyl)-1H-indazol-3-yl]butanamide?
The canonical SMILES for N-[6-(2,5-difluorophenyl)-1H-indazol-3-yl]butanamide is CCCC(=O)Nc1n[nH]c2cc(-c3cc(F)ccc3F)ccc12.
What is the InChIKey of N-[6-(2,5-difluorophenyl)-1H-indazol-3-yl]butanamide?
The InChIKey is XYMBSQSDFYPGAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N3O/c1-2-3-16(23)20-17-12-6-4-10(8-15(12)21-22-17)13-9-11(18)5-7-14(13)19/h4-9H,2-3H2,1H3,(H2,20,21,22,23).
What are the key properties of N-[6-(2,5-difluorophenyl)-1H-indazol-3-yl]butanamide?
N-[6-(2,5-difluorophenyl)-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-(2,5-difluorophenyl)-1H-indazol-3-yl]butanamide is sourced from PubChem (CID 69065883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).