2-fluoro-N-(1H-indazol-5-yl)-4-methylbenzamide

C15H12FN3O — CID 79771081

IUPAC2-fluoro-N-(1H-indazol-5-yl)-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc3[nH]ncc3c2)c(F)c1
InChIInChI=1S/C15H12FN3O/c1-9-2-4-12(13(16)6-9)15(20)18-11-3-5-14-10(7-11)8-17-19-14/h2-8H,1H3,(H,17,19)(H,18,20)
InChIKeyKSNBPAJHZPILAC-UHFFFAOYSA-N
MW269.28 g/mol
LogP3.26
Rot. Bonds2

About 2-fluoro-N-(1H-indazol-5-yl)-4-methylbenzamide

2-fluoro-N-(1H-indazol-5-yl)-4-methylbenzamide (PubChem CID 79771081) has the molecular formula C15H12FN3O and a molecular weight of 269.28 g/mol. Its IUPAC name is 2-fluoro-N-(1H-indazol-5-yl)-4-methylbenzamide.

Molecular Properties

Compound Name2-fluoro-N-(1H-indazol-5-yl)-4-methylbenzamide
PubChem CID79771081
Molecular FormulaC15H12FN3O
Molecular Weight269.28 g/mol
Exact Mass269.10
IUPAC Name2-fluoro-N-(1H-indazol-5-yl)-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc3[nH]ncc3c2)c(F)c1
InChIInChI=1S/C15H12FN3O/c1-9-2-4-12(13(16)6-9)15(20)18-11-3-5-14-10(7-11)8-17-19-14/h2-8H,1H3,(H,17,19)(H,18,20)
InChIKeyKSNBPAJHZPILAC-UHFFFAOYSA-N
XLogP3.26
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-N-(1H-indazol-5-yl)benzamide
CID 5078247
2-fluoro-N-(1H-indazol-6-yl)-5-methylbenzamide
CID 62512997
N-(1H-indazol-5-yl)-4-methylbenzamide
CID 17163732
N-(1H-indazol-5-yl)-2,4,5-trimethoxybenzamide
CID 6468296
N-(1H-indazol-5-yl)-2-methylfuran-3-carboxamide
CID 17148684
5-bromo-N-(1H-indazol-5-yl)-2-methylbenzamide
CID 65311684
4-fluoro-N-(1H-indazol-6-yl)-2-methylbenzamide
CID 115745336
N-(1H-indazol-5-yl)-5-methyl-1,3-oxazole-2-carboxamide
CID 112527219
N-(1H-indazol-5-yl)-3-methylthiophene-2-carboxamide
CID 112527198
N-(1H-indazol-5-yl)-2,4-dimethylfuran-3-carboxamide
CID 112527200
5,6-dichloro-N-(1H-indazol-5-yl)pyridine-3-carboxamide
CID 60712400
N-(3-bromo-5-methylphenyl)-2-fluoro-4-methylbenzamide
CID 107582986

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(1H-indazol-5-yl)-4-methylbenzamide?
The IUPAC name of 2-fluoro-N-(1H-indazol-5-yl)-4-methylbenzamide (CID 79771081) is 2-fluoro-N-(1H-indazol-5-yl)-4-methylbenzamide.
What is the SMILES notation for 2-fluoro-N-(1H-indazol-5-yl)-4-methylbenzamide?
The canonical SMILES for 2-fluoro-N-(1H-indazol-5-yl)-4-methylbenzamide is Cc1ccc(C(=O)Nc2ccc3[nH]ncc3c2)c(F)c1.
What is the InChIKey of 2-fluoro-N-(1H-indazol-5-yl)-4-methylbenzamide?
The InChIKey is KSNBPAJHZPILAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O/c1-9-2-4-12(13(16)6-9)15(20)18-11-3-5-14-10(7-11)8-17-19-14/h2-8H,1H3,(H,17,19)(H,18,20).
What are the key properties of 2-fluoro-N-(1H-indazol-5-yl)-4-methylbenzamide?
2-fluoro-N-(1H-indazol-5-yl)-4-methylbenzamide has a molecular weight of 269.28 g/mol, XLogP of 3.26, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(1H-indazol-5-yl)-4-methylbenzamide is sourced from PubChem (CID 79771081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).