N-(2-bromocyclopentyl)-2-cycloheptylacetamide

C14H24BrNO — CID 114458260

IUPACN-(2-bromocyclopentyl)-2-cycloheptylacetamide
SMILESO=C(CC1CCCCCC1)NC1CCCC1Br
InChIInChI=1S/C14H24BrNO/c15-12-8-5-9-13(12)16-14(17)10-11-6-3-1-2-4-7-11/h11-13H,1-10H2,(H,16,17)
InChIKeyGMFMESRKSOWAIE-UHFFFAOYSA-N
MW302.26 g/mol
LogP3.78
Rot. Bonds3

About N-(2-bromocyclopentyl)-2-cycloheptylacetamide

N-(2-bromocyclopentyl)-2-cycloheptylacetamide (PubChem CID 114458260) has the molecular formula C14H24BrNO and a molecular weight of 302.26 g/mol. Its IUPAC name is N-(2-bromocyclopentyl)-2-cycloheptylacetamide.

Molecular Properties

Compound NameN-(2-bromocyclopentyl)-2-cycloheptylacetamide
PubChem CID114458260
Molecular FormulaC14H24BrNO
Molecular Weight302.26 g/mol
Exact Mass301.10
IUPAC NameN-(2-bromocyclopentyl)-2-cycloheptylacetamide
SMILESO=C(CC1CCCCCC1)NC1CCCC1Br
InChIInChI=1S/C14H24BrNO/c15-12-8-5-9-13(12)16-14(17)10-11-6-3-1-2-4-7-11/h11-13H,1-10H2,(H,16,17)
InChIKeyGMFMESRKSOWAIE-UHFFFAOYSA-N
XLogP3.78
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.26
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-cycloheptyl-2-cyclopentylacetamide
CID 40234300
N-(2-bromocyclopentyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 81932494
N-(2-bromocyclopentyl)-4,4-difluorocyclohexane-1-carboxamide
CID 81932527
3-(5-Bromopentyl)azepan-2-one
CID 100994950
N-(2-bromoethyl)-2-cyclopentylacetamide
CID 60753542
N-cyclopentylcycloheptanecarboxamide
CID 62780181
2-cycloheptyl-N-cyclopentylacetamide
CID 90970193
4-(1-aminoethyl)-N-cyclopentylcycloheptane-1-carboxamide
CID 132032744
5-(4-Bromobutyl)-4-methylpyrrolidin-2-one
CID 132193699
2-[4-[(2-bromoacetyl)amino]cycloheptyl]-N-methylacetamide
CID 156573453
N-cycloheptyl-3-cyclopentylpropanamide
CID 918353
N-(2-bromoethyl)-3-cyclopentylpropanamide
CID 43133393

Frequently Asked Questions

What is the IUPAC name of N-(2-bromocyclopentyl)-2-cycloheptylacetamide?
The IUPAC name of N-(2-bromocyclopentyl)-2-cycloheptylacetamide (CID 114458260) is N-(2-bromocyclopentyl)-2-cycloheptylacetamide.
What is the SMILES notation for N-(2-bromocyclopentyl)-2-cycloheptylacetamide?
The canonical SMILES for N-(2-bromocyclopentyl)-2-cycloheptylacetamide is O=C(CC1CCCCCC1)NC1CCCC1Br.
What is the InChIKey of N-(2-bromocyclopentyl)-2-cycloheptylacetamide?
The InChIKey is GMFMESRKSOWAIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24BrNO/c15-12-8-5-9-13(12)16-14(17)10-11-6-3-1-2-4-7-11/h11-13H,1-10H2,(H,16,17).
What are the key properties of N-(2-bromocyclopentyl)-2-cycloheptylacetamide?
N-(2-bromocyclopentyl)-2-cycloheptylacetamide has a molecular weight of 302.26 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromocyclopentyl)-2-cycloheptylacetamide is sourced from PubChem (CID 114458260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).