N-(4-fluoro-1-methylindazol-3-yl)-3-methoxybenzamide

C16H14FN3O2 — CID 2742955

IUPACN-(4-fluoro-1-methylindazol-3-yl)-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2nn(C)c3cccc(F)c23)c1
InChIInChI=1S/C16H14FN3O2/c1-20-13-8-4-7-12(17)14(13)15(19-20)18-16(21)10-5-3-6-11(9-10)22-2/h3-9H,1-2H3,(H,18,19,21)
InChIKeyGPKMTJSNOMFFCG-UHFFFAOYSA-N
MW299.31 g/mol
LogP2.97
Rot. Bonds3

About N-(4-fluoro-1-methylindazol-3-yl)-3-methoxybenzamide

N-(4-fluoro-1-methylindazol-3-yl)-3-methoxybenzamide (PubChem CID 2742955) has the molecular formula C16H14FN3O2 and a molecular weight of 299.31 g/mol. Its IUPAC name is N-(4-fluoro-1-methylindazol-3-yl)-3-methoxybenzamide.

Molecular Properties

Compound NameN-(4-fluoro-1-methylindazol-3-yl)-3-methoxybenzamide
PubChem CID2742955
Molecular FormulaC16H14FN3O2
Molecular Weight299.31 g/mol
Exact Mass299.11
IUPAC NameN-(4-fluoro-1-methylindazol-3-yl)-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2nn(C)c3cccc(F)c23)c1
InChIInChI=1S/C16H14FN3O2/c1-20-13-8-4-7-12(17)14(13)15(19-20)18-16(21)10-5-3-6-11(9-10)22-2/h3-9H,1-2H3,(H,18,19,21)
InChIKeyGPKMTJSNOMFFCG-UHFFFAOYSA-N
XLogP2.97
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.31
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-1-methylindazol-3-yl)-3-methoxybenzamide?
The IUPAC name of N-(4-fluoro-1-methylindazol-3-yl)-3-methoxybenzamide (CID 2742955) is N-(4-fluoro-1-methylindazol-3-yl)-3-methoxybenzamide.
What is the SMILES notation for N-(4-fluoro-1-methylindazol-3-yl)-3-methoxybenzamide?
The canonical SMILES for N-(4-fluoro-1-methylindazol-3-yl)-3-methoxybenzamide is COc1cccc(C(=O)Nc2nn(C)c3cccc(F)c23)c1.
What is the InChIKey of N-(4-fluoro-1-methylindazol-3-yl)-3-methoxybenzamide?
The InChIKey is GPKMTJSNOMFFCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O2/c1-20-13-8-4-7-12(17)14(13)15(19-20)18-16(21)10-5-3-6-11(9-10)22-2/h3-9H,1-2H3,(H,18,19,21).
What are the key properties of N-(4-fluoro-1-methylindazol-3-yl)-3-methoxybenzamide?
N-(4-fluoro-1-methylindazol-3-yl)-3-methoxybenzamide has a molecular weight of 299.31 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-1-methylindazol-3-yl)-3-methoxybenzamide is sourced from PubChem (CID 2742955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).