N-acetyl-N-(1-acetyl-6-bromo-4-fluoroindazol-3-yl)acetamide

C13H11BrFN3O3 — CID 58504372

IUPACN-acetyl-N-(1-acetyl-6-bromo-4-fluoroindazol-3-yl)acetamide
SMILESCC(=O)N(C(C)=O)c1nn(C(C)=O)c2cc(Br)cc(F)c12
InChIInChI=1S/C13H11BrFN3O3/c1-6(19)17(7(2)20)13-12-10(15)4-9(14)5-11(12)18(16-13)8(3)21/h4-5H,1-3H3
InChIKeyFMWURYIWWQRHGH-UHFFFAOYSA-N
MW356.15 g/mol
LogP2.50
Rot. Bonds1

About N-acetyl-N-(1-acetyl-6-bromo-4-fluoroindazol-3-yl)acetamide

N-acetyl-N-(1-acetyl-6-bromo-4-fluoroindazol-3-yl)acetamide (PubChem CID 58504372) has the molecular formula C13H11BrFN3O3 and a molecular weight of 356.15 g/mol. Its IUPAC name is N-acetyl-N-(1-acetyl-6-bromo-4-fluoroindazol-3-yl)acetamide.

Molecular Properties

Compound NameN-acetyl-N-(1-acetyl-6-bromo-4-fluoroindazol-3-yl)acetamide
PubChem CID58504372
Molecular FormulaC13H11BrFN3O3
Molecular Weight356.15 g/mol
Exact Mass355.00
IUPAC NameN-acetyl-N-(1-acetyl-6-bromo-4-fluoroindazol-3-yl)acetamide
SMILESCC(=O)N(C(C)=O)c1nn(C(C)=O)c2cc(Br)cc(F)c12
InChIInChI=1S/C13H11BrFN3O3/c1-6(19)17(7(2)20)13-12-10(15)4-9(14)5-11(12)18(16-13)8(3)21/h4-5H,1-3H3
InChIKeyFMWURYIWWQRHGH-UHFFFAOYSA-N
XLogP2.50
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.15
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-acetyl-N-(1-acetyl-6-bromo-4-fluoroindazol-3-yl)acetamide?
The IUPAC name of N-acetyl-N-(1-acetyl-6-bromo-4-fluoroindazol-3-yl)acetamide (CID 58504372) is N-acetyl-N-(1-acetyl-6-bromo-4-fluoroindazol-3-yl)acetamide.
What is the SMILES notation for N-acetyl-N-(1-acetyl-6-bromo-4-fluoroindazol-3-yl)acetamide?
The canonical SMILES for N-acetyl-N-(1-acetyl-6-bromo-4-fluoroindazol-3-yl)acetamide is CC(=O)N(C(C)=O)c1nn(C(C)=O)c2cc(Br)cc(F)c12.
What is the InChIKey of N-acetyl-N-(1-acetyl-6-bromo-4-fluoroindazol-3-yl)acetamide?
The InChIKey is FMWURYIWWQRHGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrFN3O3/c1-6(19)17(7(2)20)13-12-10(15)4-9(14)5-11(12)18(16-13)8(3)21/h4-5H,1-3H3.
What are the key properties of N-acetyl-N-(1-acetyl-6-bromo-4-fluoroindazol-3-yl)acetamide?
N-acetyl-N-(1-acetyl-6-bromo-4-fluoroindazol-3-yl)acetamide has a molecular weight of 356.15 g/mol, XLogP of 2.50, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-N-(1-acetyl-6-bromo-4-fluoroindazol-3-yl)acetamide is sourced from PubChem (CID 58504372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).