2-bromo-2,2-difluoro-N-(4-fluoro-2-hydroxy-1H-indol-3-yl)acetamide

C10H6BrF3N2O2 — CID 150768226

IUPAC2-bromo-2,2-difluoro-N-(4-fluoro-2-hydroxy-1H-indol-3-yl)acetamide
SMILESO=C(Nc1c(O)[nH]c2cccc(F)c12)C(F)(F)Br
InChIInChI=1S/C10H6BrF3N2O2/c11-10(13,14)9(18)16-7-6-4(12)2-1-3-5(6)15-8(7)17/h1-3,15,17H,(H,16,18)
InChIKeyJZHJYNHYNYJGEZ-UHFFFAOYSA-N
MW323.07 g/mol
LogP2.94
Rot. Bonds2

About 2-bromo-2,2-difluoro-N-(4-fluoro-2-hydroxy-1H-indol-3-yl)acetamide

2-bromo-2,2-difluoro-N-(4-fluoro-2-hydroxy-1H-indol-3-yl)acetamide (PubChem CID 150768226) has the molecular formula C10H6BrF3N2O2 and a molecular weight of 323.07 g/mol. Its IUPAC name is 2-bromo-2,2-difluoro-N-(4-fluoro-2-hydroxy-1H-indol-3-yl)acetamide.

Molecular Properties

Compound Name2-bromo-2,2-difluoro-N-(4-fluoro-2-hydroxy-1H-indol-3-yl)acetamide
PubChem CID150768226
Molecular FormulaC10H6BrF3N2O2
Molecular Weight323.07 g/mol
Exact Mass321.96
IUPAC Name2-bromo-2,2-difluoro-N-(4-fluoro-2-hydroxy-1H-indol-3-yl)acetamide
SMILESO=C(Nc1c(O)[nH]c2cccc(F)c12)C(F)(F)Br
InChIInChI=1S/C10H6BrF3N2O2/c11-10(13,14)9(18)16-7-6-4(12)2-1-3-5(6)15-8(7)17/h1-3,15,17H,(H,16,18)
InChIKeyJZHJYNHYNYJGEZ-UHFFFAOYSA-N
XLogP2.94
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.07
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-2,2-difluoro-N-(4-fluoro-2-hydroxy-1H-indol-3-yl)acetamide?
The IUPAC name of 2-bromo-2,2-difluoro-N-(4-fluoro-2-hydroxy-1H-indol-3-yl)acetamide (CID 150768226) is 2-bromo-2,2-difluoro-N-(4-fluoro-2-hydroxy-1H-indol-3-yl)acetamide.
What is the SMILES notation for 2-bromo-2,2-difluoro-N-(4-fluoro-2-hydroxy-1H-indol-3-yl)acetamide?
The canonical SMILES for 2-bromo-2,2-difluoro-N-(4-fluoro-2-hydroxy-1H-indol-3-yl)acetamide is O=C(Nc1c(O)[nH]c2cccc(F)c12)C(F)(F)Br.
What is the InChIKey of 2-bromo-2,2-difluoro-N-(4-fluoro-2-hydroxy-1H-indol-3-yl)acetamide?
The InChIKey is JZHJYNHYNYJGEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrF3N2O2/c11-10(13,14)9(18)16-7-6-4(12)2-1-3-5(6)15-8(7)17/h1-3,15,17H,(H,16,18).
What are the key properties of 2-bromo-2,2-difluoro-N-(4-fluoro-2-hydroxy-1H-indol-3-yl)acetamide?
2-bromo-2,2-difluoro-N-(4-fluoro-2-hydroxy-1H-indol-3-yl)acetamide has a molecular weight of 323.07 g/mol, XLogP of 2.94, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-2,2-difluoro-N-(4-fluoro-2-hydroxy-1H-indol-3-yl)acetamide is sourced from PubChem (CID 150768226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).