N-(5-bromo-6,7-difluoro-1H-indazol-3-yl)butanamide

C11H10BrF2N3O — CID 22319657

IUPACN-(5-bromo-6,7-difluoro-1H-indazol-3-yl)butanamide
SMILESCCCC(=O)Nc1n[nH]c2c(F)c(F)c(Br)cc12
InChIInChI=1S/C11H10BrF2N3O/c1-2-3-7(18)15-11-5-4-6(12)8(13)9(14)10(5)16-17-11/h4H,2-3H2,1H3,(H2,15,16,17,18)
InChIKeyPXLBOIVAUGMGET-UHFFFAOYSA-N
MW318.12 g/mol
LogP3.34
Rot. Bonds3

About N-(5-bromo-6,7-difluoro-1H-indazol-3-yl)butanamide

N-(5-bromo-6,7-difluoro-1H-indazol-3-yl)butanamide (PubChem CID 22319657) has the molecular formula C11H10BrF2N3O and a molecular weight of 318.12 g/mol. Its IUPAC name is N-(5-bromo-6,7-difluoro-1H-indazol-3-yl)butanamide.

Molecular Properties

Compound NameN-(5-bromo-6,7-difluoro-1H-indazol-3-yl)butanamide
PubChem CID22319657
Molecular FormulaC11H10BrF2N3O
Molecular Weight318.12 g/mol
Exact Mass317.00
IUPAC NameN-(5-bromo-6,7-difluoro-1H-indazol-3-yl)butanamide
SMILESCCCC(=O)Nc1n[nH]c2c(F)c(F)c(Br)cc12
InChIInChI=1S/C11H10BrF2N3O/c1-2-3-7(18)15-11-5-4-6(12)8(13)9(14)10(5)16-17-11/h4H,2-3H2,1H3,(H2,15,16,17,18)
InChIKeyPXLBOIVAUGMGET-UHFFFAOYSA-N
XLogP3.34
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.12
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-[6-(trifluoromethyl)-1H-indazol-3-yl]butanamide
CID 10265187
N-(6-bromo-1H-indazol-3-yl)butyramide
CID 10423871
N-(5-bromo-6-chloro-1H-indazol-3-yl)butanamide
CID 10087157
N-(6,7-difluoro-1H-indazol-3-yl)butanamide
CID 11776377
2-bromo-N-(6-bromo-1H-indazol-3-yl)-2,2-difluoroacetamide
CID 168272576
N-(6-bromo-1H-indazol-3-yl)-2,2-difluoroacetamide
CID 168289148
N-(6-bromo-1H-indazol-3-yl)acetamide
CID 168290588
N-(6-bromo-1H-indazol-3-yl)-2-chloro-2,2-difluoroacetamide
CID 168290169
N-(7-trifluoromethyl)-1H-indazol-3-yl)butyramide
CID 139200609
N-(5-bromo-6,7-difluoro-1-[[2-(trimethylsilyl)ethoxy]methyl]-1H-indazol-3-yl)butanamide
CID 10095181
N-[5-(trifluoromethyl)-1H-indazol-3-yl]butanamide
CID 10378475
N-[7-fluoro-6-(trifluoromethyl)-1H-indazol-3-yl]butanamide
CID 22319518

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-6,7-difluoro-1H-indazol-3-yl)butanamide?
The IUPAC name of N-(5-bromo-6,7-difluoro-1H-indazol-3-yl)butanamide (CID 22319657) is N-(5-bromo-6,7-difluoro-1H-indazol-3-yl)butanamide.
What is the SMILES notation for N-(5-bromo-6,7-difluoro-1H-indazol-3-yl)butanamide?
The canonical SMILES for N-(5-bromo-6,7-difluoro-1H-indazol-3-yl)butanamide is CCCC(=O)Nc1n[nH]c2c(F)c(F)c(Br)cc12.
What is the InChIKey of N-(5-bromo-6,7-difluoro-1H-indazol-3-yl)butanamide?
The InChIKey is PXLBOIVAUGMGET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrF2N3O/c1-2-3-7(18)15-11-5-4-6(12)8(13)9(14)10(5)16-17-11/h4H,2-3H2,1H3,(H2,15,16,17,18).
What are the key properties of N-(5-bromo-6,7-difluoro-1H-indazol-3-yl)butanamide?
N-(5-bromo-6,7-difluoro-1H-indazol-3-yl)butanamide has a molecular weight of 318.12 g/mol, XLogP of 3.34, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-6,7-difluoro-1H-indazol-3-yl)butanamide is sourced from PubChem (CID 22319657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).