5-bromo-2-fluoro-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)benzamide

C15H15BrFN3O — CID 43063208

IUPAC5-bromo-2-fluoro-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)benzamide
SMILESCn1ncc2c1CCCC2NC(=O)c1cc(Br)ccc1F
InChIInChI=1S/C15H15BrFN3O/c1-20-14-4-2-3-13(11(14)8-18-20)19-15(21)10-7-9(16)5-6-12(10)17/h5-8,13H,2-4H2,1H3,(H,19,21)
InChIKeyOIYJHFZRQVANCV-UHFFFAOYSA-N
MW352.21 g/mol
LogP3.13
Rot. Bonds2

About 5-bromo-2-fluoro-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)benzamide

5-bromo-2-fluoro-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)benzamide (PubChem CID 43063208) has the molecular formula C15H15BrFN3O and a molecular weight of 352.21 g/mol. Its IUPAC name is 5-bromo-2-fluoro-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)benzamide.

Molecular Properties

Compound Name5-bromo-2-fluoro-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)benzamide
PubChem CID43063208
Molecular FormulaC15H15BrFN3O
Molecular Weight352.21 g/mol
Exact Mass351.04
IUPAC Name5-bromo-2-fluoro-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)benzamide
SMILESCn1ncc2c1CCCC2NC(=O)c1cc(Br)ccc1F
InChIInChI=1S/C15H15BrFN3O/c1-20-14-4-2-3-13(11(14)8-18-20)19-15(21)10-7-9(16)5-6-12(10)17/h5-8,13H,2-4H2,1H3,(H,19,21)
InChIKeyOIYJHFZRQVANCV-UHFFFAOYSA-N
XLogP3.13
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.21
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-4-bromo-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)benzamide
CID 79704714
2-amino-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)benzamide
CID 61213666
6-fluoro-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)pyridine-3-carboxamide
CID 63979904
2-(4-bromophenyl)sulfanyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)pyridine-3-carboxamide
CID 55602413
2,5-dimethyl-N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]furan-3-carboxamide
CID 94187673
3-hydroxy-N-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 95159871
6-fluoro-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)pyridine-2-carboxamide
CID 115497317
5-bromo-2-fluoro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzamide
CID 60734129
6-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-4-oxo-1H-pyridine-3-carboxamide
CID 103696348
5-(4-fluorophenyl)-N-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-1,2-oxazole-3-carboxamide
CID 95384681
N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)pyridine-2-carboxamide
CID 47027925
N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)cyclopropanecarboxamide
CID 42958313

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-fluoro-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)benzamide?
The IUPAC name of 5-bromo-2-fluoro-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)benzamide (CID 43063208) is 5-bromo-2-fluoro-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)benzamide.
What is the SMILES notation for 5-bromo-2-fluoro-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)benzamide?
The canonical SMILES for 5-bromo-2-fluoro-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)benzamide is Cn1ncc2c1CCCC2NC(=O)c1cc(Br)ccc1F.
What is the InChIKey of 5-bromo-2-fluoro-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)benzamide?
The InChIKey is OIYJHFZRQVANCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFN3O/c1-20-14-4-2-3-13(11(14)8-18-20)19-15(21)10-7-9(16)5-6-12(10)17/h5-8,13H,2-4H2,1H3,(H,19,21).
What are the key properties of 5-bromo-2-fluoro-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)benzamide?
5-bromo-2-fluoro-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)benzamide has a molecular weight of 352.21 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-fluoro-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)benzamide is sourced from PubChem (CID 43063208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).