3-bromo-6-fluoro-N-[3-(furan-3-yl)-1H-indazol-5-yl]-2-methylbenzamide

C19H13BrFN3O2 — CID 155481835

IUPAC3-bromo-6-fluoro-N-[3-(furan-3-yl)-1H-indazol-5-yl]-2-methylbenzamide
SMILESCc1c(Br)ccc(F)c1C(=O)Nc1ccc2[nH]nc(-c3ccoc3)c2c1
InChIInChI=1S/C19H13BrFN3O2/c1-10-14(20)3-4-15(21)17(10)19(25)22-12-2-5-16-13(8-12)18(24-23-16)11-6-7-26-9-11/h2-9H,1H3,(H,22,25)(H,23,24)
InChIKeyWTHGUXLKSLPEKH-UHFFFAOYSA-N
MW414.23 g/mol
LogP5.29
Rot. Bonds3

About 3-bromo-6-fluoro-N-[3-(furan-3-yl)-1H-indazol-5-yl]-2-methylbenzamide

3-bromo-6-fluoro-N-[3-(furan-3-yl)-1H-indazol-5-yl]-2-methylbenzamide (PubChem CID 155481835) has the molecular formula C19H13BrFN3O2 and a molecular weight of 414.23 g/mol. Its IUPAC name is 3-bromo-6-fluoro-N-[3-(furan-3-yl)-1H-indazol-5-yl]-2-methylbenzamide.

Molecular Properties

Compound Name3-bromo-6-fluoro-N-[3-(furan-3-yl)-1H-indazol-5-yl]-2-methylbenzamide
PubChem CID155481835
Molecular FormulaC19H13BrFN3O2
Molecular Weight414.23 g/mol
Exact Mass413.02
IUPAC Name3-bromo-6-fluoro-N-[3-(furan-3-yl)-1H-indazol-5-yl]-2-methylbenzamide
SMILESCc1c(Br)ccc(F)c1C(=O)Nc1ccc2[nH]nc(-c3ccoc3)c2c1
InChIInChI=1S/C19H13BrFN3O2/c1-10-14(20)3-4-15(21)17(10)19(25)22-12-2-5-16-13(8-12)18(24-23-16)11-6-7-26-9-11/h2-9H,1H3,(H,22,25)(H,23,24)
InChIKeyWTHGUXLKSLPEKH-UHFFFAOYSA-N
XLogP5.29
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.23
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-fluoro-N-[3-(furan-3-yl)-1H-indazol-5-yl]-2-methylbenzamide?
The IUPAC name of 3-bromo-6-fluoro-N-[3-(furan-3-yl)-1H-indazol-5-yl]-2-methylbenzamide (CID 155481835) is 3-bromo-6-fluoro-N-[3-(furan-3-yl)-1H-indazol-5-yl]-2-methylbenzamide.
What is the SMILES notation for 3-bromo-6-fluoro-N-[3-(furan-3-yl)-1H-indazol-5-yl]-2-methylbenzamide?
The canonical SMILES for 3-bromo-6-fluoro-N-[3-(furan-3-yl)-1H-indazol-5-yl]-2-methylbenzamide is Cc1c(Br)ccc(F)c1C(=O)Nc1ccc2[nH]nc(-c3ccoc3)c2c1.
What is the InChIKey of 3-bromo-6-fluoro-N-[3-(furan-3-yl)-1H-indazol-5-yl]-2-methylbenzamide?
The InChIKey is WTHGUXLKSLPEKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13BrFN3O2/c1-10-14(20)3-4-15(21)17(10)19(25)22-12-2-5-16-13(8-12)18(24-23-16)11-6-7-26-9-11/h2-9H,1H3,(H,22,25)(H,23,24).
What are the key properties of 3-bromo-6-fluoro-N-[3-(furan-3-yl)-1H-indazol-5-yl]-2-methylbenzamide?
3-bromo-6-fluoro-N-[3-(furan-3-yl)-1H-indazol-5-yl]-2-methylbenzamide has a molecular weight of 414.23 g/mol, XLogP of 5.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-fluoro-N-[3-(furan-3-yl)-1H-indazol-5-yl]-2-methylbenzamide is sourced from PubChem (CID 155481835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).