2-bromo-4-fluoro-N-(1H-indazol-4-yl)benzamide

C14H9BrFN3O — CID 60933063

IUPAC2-bromo-4-fluoro-N-(1H-indazol-4-yl)benzamide
SMILESO=C(Nc1cccc2[nH]ncc12)c1ccc(F)cc1Br
InChIInChI=1S/C14H9BrFN3O/c15-11-6-8(16)4-5-9(11)14(20)18-12-2-1-3-13-10(12)7-17-19-13/h1-7H,(H,17,19)(H,18,20)
InChIKeyJCFAQEKPKCGZFP-UHFFFAOYSA-N
MW334.15 g/mol
LogP3.72
Rot. Bonds2

About 2-bromo-4-fluoro-N-(1H-indazol-4-yl)benzamide

2-bromo-4-fluoro-N-(1H-indazol-4-yl)benzamide (PubChem CID 60933063) has the molecular formula C14H9BrFN3O and a molecular weight of 334.15 g/mol. Its IUPAC name is 2-bromo-4-fluoro-N-(1H-indazol-4-yl)benzamide.

Molecular Properties

Compound Name2-bromo-4-fluoro-N-(1H-indazol-4-yl)benzamide
PubChem CID60933063
Molecular FormulaC14H9BrFN3O
Molecular Weight334.15 g/mol
Exact Mass332.99
IUPAC Name2-bromo-4-fluoro-N-(1H-indazol-4-yl)benzamide
SMILESO=C(Nc1cccc2[nH]ncc12)c1ccc(F)cc1Br
InChIInChI=1S/C14H9BrFN3O/c15-11-6-8(16)4-5-9(11)14(20)18-12-2-1-3-13-10(12)7-17-19-13/h1-7H,(H,17,19)(H,18,20)
InChIKeyJCFAQEKPKCGZFP-UHFFFAOYSA-N
XLogP3.72
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.15
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-fluoro-N-(1H-indazol-4-yl)benzamide?
The IUPAC name of 2-bromo-4-fluoro-N-(1H-indazol-4-yl)benzamide (CID 60933063) is 2-bromo-4-fluoro-N-(1H-indazol-4-yl)benzamide.
What is the SMILES notation for 2-bromo-4-fluoro-N-(1H-indazol-4-yl)benzamide?
The canonical SMILES for 2-bromo-4-fluoro-N-(1H-indazol-4-yl)benzamide is O=C(Nc1cccc2[nH]ncc12)c1ccc(F)cc1Br.
What is the InChIKey of 2-bromo-4-fluoro-N-(1H-indazol-4-yl)benzamide?
The InChIKey is JCFAQEKPKCGZFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrFN3O/c15-11-6-8(16)4-5-9(11)14(20)18-12-2-1-3-13-10(12)7-17-19-13/h1-7H,(H,17,19)(H,18,20).
What are the key properties of 2-bromo-4-fluoro-N-(1H-indazol-4-yl)benzamide?
2-bromo-4-fluoro-N-(1H-indazol-4-yl)benzamide has a molecular weight of 334.15 g/mol, XLogP of 3.72, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-fluoro-N-(1H-indazol-4-yl)benzamide is sourced from PubChem (CID 60933063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).