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

C11H17BrN2O — CID 107903353

IUPAC2-bromo-N-(1-cyanocycloheptyl)propanamide
SMILESCC(Br)C(=O)NC1(C#N)CCCCCC1
InChIInChI=1S/C11H17BrN2O/c1-9(12)10(15)14-11(8-13)6-4-2-3-5-7-11/h9H,2-7H2,1H3,(H,14,15)
InChIKeyUMKPHZYJUCTWBG-UHFFFAOYSA-N
MW273.17 g/mol
LogP2.50
Rot. Bonds2

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

2-bromo-N-(1-cyanocycloheptyl)propanamide (PubChem CID 107903353) has the molecular formula C11H17BrN2O and a molecular weight of 273.17 g/mol. Its IUPAC name is 2-bromo-N-(1-cyanocycloheptyl)propanamide.

Molecular Properties

Compound Name2-bromo-N-(1-cyanocycloheptyl)propanamide
PubChem CID107903353
Molecular FormulaC11H17BrN2O
Molecular Weight273.17 g/mol
Exact Mass272.05
IUPAC Name2-bromo-N-(1-cyanocycloheptyl)propanamide
SMILESCC(Br)C(=O)NC1(C#N)CCCCCC1
InChIInChI=1S/C11H17BrN2O/c1-9(12)10(15)14-11(8-13)6-4-2-3-5-7-11/h9H,2-7H2,1H3,(H,14,15)
InChIKeyUMKPHZYJUCTWBG-UHFFFAOYSA-N
XLogP2.50
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.17
LogP ≤ 52.50
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-cyanocyclohexyl)-2-methoxypropanamide
CID 112685947
N-(1-cyanocycloheptyl)-2,2-difluoroacetamide
CID 103513731
1-(1-cyanocyclooctyl)-3-propan-2-ylurea
CID 61124743
2-methylpropyl N-(1-cyanocycloheptyl)carbamate
CID 61122617
(2S)-N-(1-cyanocyclohexyl)-2-phenylsulfanylpropanamide
CID 7821049
N-(1-cyanocyclopropyl)-2-fluoro-3-methylbutanamide
CID 130694532
N-(1-cyanocyclooctyl)-2,2-dimethylpropanamide
CID 60968681
2-bromo-N-(1-cyanocycloheptyl)acetamide
CID 63680243
(2R)-N-(1-cyanocyclohexyl)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanamide
CID 9050018
(2S)-2-amino-N-(1-cyanocyclopentyl)-2-cyclohexylacetamide
CID 70338332
[(2S)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] N,N-diethylcarbamodithioate
CID 8818790
2-bromo-N-[1-(hydroxymethyl)cyclohexyl]propanamide
CID 107905156

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(1-cyanocycloheptyl)propanamide?
The IUPAC name of 2-bromo-N-(1-cyanocycloheptyl)propanamide (CID 107903353) is 2-bromo-N-(1-cyanocycloheptyl)propanamide.
What is the SMILES notation for 2-bromo-N-(1-cyanocycloheptyl)propanamide?
The canonical SMILES for 2-bromo-N-(1-cyanocycloheptyl)propanamide is CC(Br)C(=O)NC1(C#N)CCCCCC1.
What is the InChIKey of 2-bromo-N-(1-cyanocycloheptyl)propanamide?
The InChIKey is UMKPHZYJUCTWBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2O/c1-9(12)10(15)14-11(8-13)6-4-2-3-5-7-11/h9H,2-7H2,1H3,(H,14,15).
What are the key properties of 2-bromo-N-(1-cyanocycloheptyl)propanamide?
2-bromo-N-(1-cyanocycloheptyl)propanamide has a molecular weight of 273.17 g/mol, XLogP of 2.50, 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)propanamide is sourced from PubChem (CID 107903353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).