N-(4-bromo-2-fluorophenyl)-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide

C15H15BrFN3O — CID 20892310

IUPACN-(4-bromo-2-fluorophenyl)-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
SMILESO=C(Cn1cc2c(n1)CCCC2)Nc1ccc(Br)cc1F
InChIInChI=1S/C15H15BrFN3O/c16-11-5-6-14(12(17)7-11)18-15(21)9-20-8-10-3-1-2-4-13(10)19-20/h5-8H,1-4,9H2,(H,18,21)
InChIKeyWULHCDAXQZFYCJ-UHFFFAOYSA-N
MW352.21 g/mol
LogP3.30
Rot. Bonds3

About N-(4-bromo-2-fluorophenyl)-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide

N-(4-bromo-2-fluorophenyl)-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide (PubChem CID 20892310) has the molecular formula C15H15BrFN3O and a molecular weight of 352.21 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
PubChem CID20892310
Molecular FormulaC15H15BrFN3O
Molecular Weight352.21 g/mol
Exact Mass351.04
IUPAC NameN-(4-bromo-2-fluorophenyl)-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
SMILESO=C(Cn1cc2c(n1)CCCC2)Nc1ccc(Br)cc1F
InChIInChI=1S/C15H15BrFN3O/c16-11-5-6-14(12(17)7-11)18-15(21)9-20-8-10-3-1-2-4-13(10)19-20/h5-8H,1-4,9H2,(H,18,21)
InChIKeyWULHCDAXQZFYCJ-UHFFFAOYSA-N
XLogP3.30
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.21
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide (CID 20892310) is N-(4-bromo-2-fluorophenyl)-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide is O=C(Cn1cc2c(n1)CCCC2)Nc1ccc(Br)cc1F.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide?
The InChIKey is WULHCDAXQZFYCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFN3O/c16-11-5-6-14(12(17)7-11)18-15(21)9-20-8-10-3-1-2-4-13(10)19-20/h5-8H,1-4,9H2,(H,18,21).
What are the key properties of N-(4-bromo-2-fluorophenyl)-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide?
N-(4-bromo-2-fluorophenyl)-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide has a molecular weight of 352.21 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide is sourced from PubChem (CID 20892310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).