N-(2-bromocyclohexyl)heptanamide

C13H24BrNO — CID 114754026

IUPACN-(2-bromocyclohexyl)heptanamide
SMILESCCCCCCC(=O)NC1CCCCC1Br
InChIInChI=1S/C13H24BrNO/c1-2-3-4-5-10-13(16)15-12-9-7-6-8-11(12)14/h11-12H,2-10H2,1H3,(H,15,16)
InChIKeyKNBHSYBUZPPPLI-UHFFFAOYSA-N
MW290.25 g/mol
LogP3.78
Rot. Bonds6

About N-(2-bromocyclohexyl)heptanamide

N-(2-bromocyclohexyl)heptanamide (PubChem CID 114754026) has the molecular formula C13H24BrNO and a molecular weight of 290.25 g/mol. Its IUPAC name is N-(2-bromocyclohexyl)heptanamide.

Molecular Properties

Compound NameN-(2-bromocyclohexyl)heptanamide
PubChem CID114754026
Molecular FormulaC13H24BrNO
Molecular Weight290.25 g/mol
Exact Mass289.10
IUPAC NameN-(2-bromocyclohexyl)heptanamide
SMILESCCCCCCC(=O)NC1CCCCC1Br
InChIInChI=1S/C13H24BrNO/c1-2-3-4-5-10-13(16)15-12-9-7-6-8-11(12)14/h11-12H,2-10H2,1H3,(H,15,16)
InChIKeyKNBHSYBUZPPPLI-UHFFFAOYSA-N
XLogP3.78
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.25
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(dodecanoylamino)cyclohexyl]dodecanamide
CID 10299379
N-[(1R,2R)-2-acetamidocyclohexyl]dodecanamide
CID 158939000
N-[(1R,2R)-2-aminocyclohexyl]decanamide
CID 103805740
N-[(1R,2R)-2-aminocyclohexyl]nonanamide
CID 103805764
N-(2-chlorocyclopentyl)dodecanamide
CID 106444076
N-(2-chlorocyclopentyl)nonanamide
CID 106443674
N-(2,3-dimethylcyclohexyl)tridecanamide
CID 57307251
N-[2-(hydroxymethyl)cyclopentyl]nonanamide
CID 103774038
N-cyclohexyltetradecanamide
CID 10244853
N-cycloheptylnonanamide
CID 5045141
N-[2-(chloromethyl)cyclopentyl]nonanamide
CID 114179441
N-(2,3-dimethylcyclohexyl)decanamide;ethane
CID 143436811

Frequently Asked Questions

What is the IUPAC name of N-(2-bromocyclohexyl)heptanamide?
The IUPAC name of N-(2-bromocyclohexyl)heptanamide (CID 114754026) is N-(2-bromocyclohexyl)heptanamide.
What is the SMILES notation for N-(2-bromocyclohexyl)heptanamide?
The canonical SMILES for N-(2-bromocyclohexyl)heptanamide is CCCCCCC(=O)NC1CCCCC1Br.
What is the InChIKey of N-(2-bromocyclohexyl)heptanamide?
The InChIKey is KNBHSYBUZPPPLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24BrNO/c1-2-3-4-5-10-13(16)15-12-9-7-6-8-11(12)14/h11-12H,2-10H2,1H3,(H,15,16).
What are the key properties of N-(2-bromocyclohexyl)heptanamide?
N-(2-bromocyclohexyl)heptanamide has a molecular weight of 290.25 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromocyclohexyl)heptanamide is sourced from PubChem (CID 114754026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).