N-[2-(6-fluoro-1H-indazol-3-yl)phenyl]propanamide

C16H14FN3O — CID 164612500

IUPACN-[2-(6-fluoro-1H-indazol-3-yl)phenyl]propanamide
SMILESCCC(=O)Nc1ccccc1-c1n[nH]c2cc(F)ccc12
InChIInChI=1S/C16H14FN3O/c1-2-15(21)18-13-6-4-3-5-11(13)16-12-8-7-10(17)9-14(12)19-20-16/h3-9H,2H2,1H3,(H,18,21)(H,19,20)
InChIKeyDVSRGZQCWCHXFX-UHFFFAOYSA-N
MW283.31 g/mol
LogP3.72
Rot. Bonds3

About N-[2-(6-fluoro-1H-indazol-3-yl)phenyl]propanamide

N-[2-(6-fluoro-1H-indazol-3-yl)phenyl]propanamide (PubChem CID 164612500) has the molecular formula C16H14FN3O and a molecular weight of 283.31 g/mol. Its IUPAC name is N-[2-(6-fluoro-1H-indazol-3-yl)phenyl]propanamide.

Molecular Properties

Compound NameN-[2-(6-fluoro-1H-indazol-3-yl)phenyl]propanamide
PubChem CID164612500
Molecular FormulaC16H14FN3O
Molecular Weight283.31 g/mol
Exact Mass283.11
IUPAC NameN-[2-(6-fluoro-1H-indazol-3-yl)phenyl]propanamide
SMILESCCC(=O)Nc1ccccc1-c1n[nH]c2cc(F)ccc12
InChIInChI=1S/C16H14FN3O/c1-2-15(21)18-13-6-4-3-5-11(13)16-12-8-7-10(17)9-14(12)19-20-16/h3-9H,2H2,1H3,(H,18,21)(H,19,20)
InChIKeyDVSRGZQCWCHXFX-UHFFFAOYSA-N
XLogP3.72
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(6-fluoro-1H-indazol-3-yl)phenyl]propanamide?
The IUPAC name of N-[2-(6-fluoro-1H-indazol-3-yl)phenyl]propanamide (CID 164612500) is N-[2-(6-fluoro-1H-indazol-3-yl)phenyl]propanamide.
What is the SMILES notation for N-[2-(6-fluoro-1H-indazol-3-yl)phenyl]propanamide?
The canonical SMILES for N-[2-(6-fluoro-1H-indazol-3-yl)phenyl]propanamide is CCC(=O)Nc1ccccc1-c1n[nH]c2cc(F)ccc12.
What is the InChIKey of N-[2-(6-fluoro-1H-indazol-3-yl)phenyl]propanamide?
The InChIKey is DVSRGZQCWCHXFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O/c1-2-15(21)18-13-6-4-3-5-11(13)16-12-8-7-10(17)9-14(12)19-20-16/h3-9H,2H2,1H3,(H,18,21)(H,19,20).
What are the key properties of N-[2-(6-fluoro-1H-indazol-3-yl)phenyl]propanamide?
N-[2-(6-fluoro-1H-indazol-3-yl)phenyl]propanamide has a molecular weight of 283.31 g/mol, XLogP of 3.72, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-fluoro-1H-indazol-3-yl)phenyl]propanamide is sourced from PubChem (CID 164612500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).