2-bromo-N-(1-cyanocycloheptyl)acetamide

C10H15BrN2O — CID 63680243

IUPAC2-bromo-N-(1-cyanocycloheptyl)acetamide
SMILESN#CC1(NC(=O)CBr)CCCCCC1
InChIInChI=1S/C10H15BrN2O/c11-7-9(14)13-10(8-12)5-3-1-2-4-6-10/h1-7H2,(H,13,14)
InChIKeyCHRKZICTAQADKI-UHFFFAOYSA-N
MW259.15 g/mol
LogP2.11
Rot. Bonds2

About 2-bromo-N-(1-cyanocycloheptyl)acetamide

2-bromo-N-(1-cyanocycloheptyl)acetamide (PubChem CID 63680243) has the molecular formula C10H15BrN2O and a molecular weight of 259.15 g/mol. Its IUPAC name is 2-bromo-N-(1-cyanocycloheptyl)acetamide.

Molecular Properties

Compound Name2-bromo-N-(1-cyanocycloheptyl)acetamide
PubChem CID63680243
Molecular FormulaC10H15BrN2O
Molecular Weight259.15 g/mol
Exact Mass258.04
IUPAC Name2-bromo-N-(1-cyanocycloheptyl)acetamide
SMILESN#CC1(NC(=O)CBr)CCCCCC1
InChIInChI=1S/C10H15BrN2O/c11-7-9(14)13-10(8-12)5-3-1-2-4-6-10/h1-7H2,(H,13,14)
InChIKeyCHRKZICTAQADKI-UHFFFAOYSA-N
XLogP2.11
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.15
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(1-cyanocyclopentyl)propanamide
CID 55029198
4-[(1-cyanocyclohexyl)amino]-4-oxobutanoic acid
CID 82287344
N-(1-cyanocyclooctyl)-3,3-dimethylbutanamide
CID 54904649
N-(1-cyanocyclopentyl)-2-(1-hydroxycyclopentyl)acetamide
CID 111538101
N-(1-cyanocyclooctyl)-3-methylsulfanylpropanamide
CID 60968545
2-(azocan-1-yl)-N-(1-cyanocyclopentyl)acetamide
CID 2472458
N-(1-cyanocyclopentyl)-2-methoxyacetamide
CID 60724698
N-(1-cyanocyclopentyl)-3,3-dimethylbutanamide
CID 55029199
methyl 4-[(1-cyanocyclohexyl)amino]-4-oxobutanoate
CID 95453797
N-(1-cyanocyclooctyl)hexanamide
CID 54904747
N-(1-cyanocyclohexyl)-2-[ethyl(methyl)amino]acetamide
CID 60516717
[2-[(1-cyanocycloheptyl)amino]-2-oxoethyl] N'-aminocarbamimidothioate
CID 77060805

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(1-cyanocycloheptyl)acetamide?
The IUPAC name of 2-bromo-N-(1-cyanocycloheptyl)acetamide (CID 63680243) is 2-bromo-N-(1-cyanocycloheptyl)acetamide.
What is the SMILES notation for 2-bromo-N-(1-cyanocycloheptyl)acetamide?
The canonical SMILES for 2-bromo-N-(1-cyanocycloheptyl)acetamide is N#CC1(NC(=O)CBr)CCCCCC1.
What is the InChIKey of 2-bromo-N-(1-cyanocycloheptyl)acetamide?
The InChIKey is CHRKZICTAQADKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O/c11-7-9(14)13-10(8-12)5-3-1-2-4-6-10/h1-7H2,(H,13,14).
What are the key properties of 2-bromo-N-(1-cyanocycloheptyl)acetamide?
2-bromo-N-(1-cyanocycloheptyl)acetamide has a molecular weight of 259.15 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(1-cyanocycloheptyl)acetamide is sourced from PubChem (CID 63680243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).