N-(3-bromo-1H-isoindol-5-yl)acetamide

C10H9BrN2O — CID 164986479

IUPACN-(3-bromo-1H-isoindol-5-yl)acetamide
SMILESCC(=O)Nc1ccc2c(c1)C(Br)=NC2
InChIInChI=1S/C10H9BrN2O/c1-6(14)13-8-3-2-7-5-12-10(11)9(7)4-8/h2-4H,5H2,1H3,(H,13,14)
InChIKeyGFSZVBWZXOXFGI-UHFFFAOYSA-N
MW253.10 g/mol
LogP2.30
Rot. Bonds1

About N-(3-bromo-1H-isoindol-5-yl)acetamide

N-(3-bromo-1H-isoindol-5-yl)acetamide (PubChem CID 164986479) has the molecular formula C10H9BrN2O and a molecular weight of 253.10 g/mol. Its IUPAC name is N-(3-bromo-1H-isoindol-5-yl)acetamide.

Molecular Properties

Compound NameN-(3-bromo-1H-isoindol-5-yl)acetamide
PubChem CID164986479
Molecular FormulaC10H9BrN2O
Molecular Weight253.10 g/mol
Exact Mass251.99
IUPAC NameN-(3-bromo-1H-isoindol-5-yl)acetamide
SMILESCC(=O)Nc1ccc2c(c1)C(Br)=NC2
InChIInChI=1S/C10H9BrN2O/c1-6(14)13-8-3-2-7-5-12-10(11)9(7)4-8/h2-4H,5H2,1H3,(H,13,14)
InChIKeyGFSZVBWZXOXFGI-UHFFFAOYSA-N
XLogP2.30
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.10
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-bromo-1H-isoindol-5-yl)-6-methyl-3H-indazole-5-carboxamide
CID 165010635
N-(1H-isoindol-5-yl)acetamide
CID 142070136
N-(2-oxo-5,6-dihydro-3H-benzo[f]cinnolin-9-yl)acetamide
CID 10244077
N-(6-nitro-3H-isoindol-1-yl)acetamide
CID 162026917
N-(2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl)acetamide
CID 771593
N-(6,7-dihydroxy-5,8-dioxonaphthalen-2-yl)acetamide
CID 135839434
N-[2-[acetyl(methyl)amino]-3-bromo-2,3-dihydro-1H-inden-5-yl]acetamide
CID 54195736
6-bromo-5-cyano-N-(3-methoxy-1H-isoindol-5-yl)-3,4-dimethylpyridine-2-carboxamide
CID 167595140
N-(2-propan-2-yl-1,3-dihydroisoindol-5-yl)acetamide
CID 110459252
N-(5H-chromeno[3,4-c]pyridin-8-yl)acetamide
CID 78320119
N-(2-hydroxy-1,3-dioxoisoindol-5-yl)acetamide
CID 100916426
5-acetamido-2-bromobenzoate
CID 7010421

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-1H-isoindol-5-yl)acetamide?
The IUPAC name of N-(3-bromo-1H-isoindol-5-yl)acetamide (CID 164986479) is N-(3-bromo-1H-isoindol-5-yl)acetamide.
What is the SMILES notation for N-(3-bromo-1H-isoindol-5-yl)acetamide?
The canonical SMILES for N-(3-bromo-1H-isoindol-5-yl)acetamide is CC(=O)Nc1ccc2c(c1)C(Br)=NC2.
What is the InChIKey of N-(3-bromo-1H-isoindol-5-yl)acetamide?
The InChIKey is GFSZVBWZXOXFGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2O/c1-6(14)13-8-3-2-7-5-12-10(11)9(7)4-8/h2-4H,5H2,1H3,(H,13,14).
What are the key properties of N-(3-bromo-1H-isoindol-5-yl)acetamide?
N-(3-bromo-1H-isoindol-5-yl)acetamide has a molecular weight of 253.10 g/mol, XLogP of 2.30, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-1H-isoindol-5-yl)acetamide is sourced from PubChem (CID 164986479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).