N-(5-bromo-6-chloro-1H-indazol-3-yl)butanamide

C11H11BrClN3O — CID 10087157

IUPACN-(5-bromo-6-chloro-1H-indazol-3-yl)butanamide
SMILESCCCC(=O)Nc1n[nH]c2cc(Cl)c(Br)cc12
InChIInChI=1S/C11H11BrClN3O/c1-2-3-10(17)14-11-6-4-7(12)8(13)5-9(6)15-16-11/h4-5H,2-3H2,1H3,(H2,14,15,16,17)
InChIKeyOUSZOHRCKAHZAA-UHFFFAOYSA-N
MW316.59 g/mol
LogP3.72
Rot. Bonds3

About N-(5-bromo-6-chloro-1H-indazol-3-yl)butanamide

N-(5-bromo-6-chloro-1H-indazol-3-yl)butanamide (PubChem CID 10087157) has the molecular formula C11H11BrClN3O and a molecular weight of 316.59 g/mol. Its IUPAC name is N-(5-bromo-6-chloro-1H-indazol-3-yl)butanamide.

Molecular Properties

Compound NameN-(5-bromo-6-chloro-1H-indazol-3-yl)butanamide
PubChem CID10087157
Molecular FormulaC11H11BrClN3O
Molecular Weight316.59 g/mol
Exact Mass314.98
IUPAC NameN-(5-bromo-6-chloro-1H-indazol-3-yl)butanamide
SMILESCCCC(=O)Nc1n[nH]c2cc(Cl)c(Br)cc12
InChIInChI=1S/C11H11BrClN3O/c1-2-3-10(17)14-11-6-4-7(12)8(13)5-9(6)15-16-11/h4-5H,2-3H2,1H3,(H2,14,15,16,17)
InChIKeyOUSZOHRCKAHZAA-UHFFFAOYSA-N
XLogP3.72
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.59
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-6-chloro-1H-indazol-3-yl)butanamide?
The IUPAC name of N-(5-bromo-6-chloro-1H-indazol-3-yl)butanamide (CID 10087157) is N-(5-bromo-6-chloro-1H-indazol-3-yl)butanamide.
What is the SMILES notation for N-(5-bromo-6-chloro-1H-indazol-3-yl)butanamide?
The canonical SMILES for N-(5-bromo-6-chloro-1H-indazol-3-yl)butanamide is CCCC(=O)Nc1n[nH]c2cc(Cl)c(Br)cc12.
What is the InChIKey of N-(5-bromo-6-chloro-1H-indazol-3-yl)butanamide?
The InChIKey is OUSZOHRCKAHZAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrClN3O/c1-2-3-10(17)14-11-6-4-7(12)8(13)5-9(6)15-16-11/h4-5H,2-3H2,1H3,(H2,14,15,16,17).
What are the key properties of N-(5-bromo-6-chloro-1H-indazol-3-yl)butanamide?
N-(5-bromo-6-chloro-1H-indazol-3-yl)butanamide has a molecular weight of 316.59 g/mol, XLogP of 3.72, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-6-chloro-1H-indazol-3-yl)butanamide is sourced from PubChem (CID 10087157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).