N-[(2-bromocyclohexyl)methyl]-2-cyclopentylacetamide

C14H24BrNO — CID 114312260

IUPACN-[(2-bromocyclohexyl)methyl]-2-cyclopentylacetamide
SMILESO=C(CC1CCCC1)NCC1CCCCC1Br
InChIInChI=1S/C14H24BrNO/c15-13-8-4-3-7-12(13)10-16-14(17)9-11-5-1-2-6-11/h11-13H,1-10H2,(H,16,17)
InChIKeyPSIULUKOBPMXOK-UHFFFAOYSA-N
MW302.26 g/mol
LogP3.64
Rot. Bonds4

About N-[(2-bromocyclohexyl)methyl]-2-cyclopentylacetamide

N-[(2-bromocyclohexyl)methyl]-2-cyclopentylacetamide (PubChem CID 114312260) has the molecular formula C14H24BrNO and a molecular weight of 302.26 g/mol. Its IUPAC name is N-[(2-bromocyclohexyl)methyl]-2-cyclopentylacetamide.

Molecular Properties

Compound NameN-[(2-bromocyclohexyl)methyl]-2-cyclopentylacetamide
PubChem CID114312260
Molecular FormulaC14H24BrNO
Molecular Weight302.26 g/mol
Exact Mass301.10
IUPAC NameN-[(2-bromocyclohexyl)methyl]-2-cyclopentylacetamide
SMILESO=C(CC1CCCC1)NCC1CCCCC1Br
InChIInChI=1S/C14H24BrNO/c15-13-8-4-3-7-12(13)10-16-14(17)9-11-5-1-2-6-11/h11-13H,1-10H2,(H,16,17)
InChIKeyPSIULUKOBPMXOK-UHFFFAOYSA-N
XLogP3.64
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.26
LogP ≤ 53.64
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-[[2-(bromomethyl)cyclohexyl]methyl]-2-cyclopentylacetamide
CID 114317429
N-[[2-(bromomethyl)cyclopentyl]methyl]-2-cyclobutylacetamide
CID 103166815
N-[(2-aminocyclohexyl)methyl]-2-cyclobutylacetamide
CID 103166988
N-[(2-bromocyclohexyl)methyl]-2-(oxolan-2-yl)acetamide
CID 114312160
N-[(2-chlorocyclohexyl)methyl]-2-cycloheptylacetamide
CID 114459062
N-[(2-bromocyclohexyl)methyl]acetamide
CID 114312171
N-[(3-bromocyclopentyl)methyl]-2-cyclopentylacetamide
CID 106128972
N-[(2-bromocyclohexyl)methyl]-2-phenylacetamide
CID 113275097
2-(4-aminocyclohexyl)-N-(cyclopentylmethyl)acetamide
CID 62782345
N-[(2-bromocyclopentyl)methyl]cyclopropanecarboxamide
CID 114313732
N-[(2-bromocyclohexyl)methyl]-2-(2-hydroxyphenyl)acetamide
CID 113275096
2-[4-(aminomethyl)cyclohexyl]-N-(cyclopentylmethyl)acetamide
CID 63613215

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromocyclohexyl)methyl]-2-cyclopentylacetamide?
The IUPAC name of N-[(2-bromocyclohexyl)methyl]-2-cyclopentylacetamide (CID 114312260) is N-[(2-bromocyclohexyl)methyl]-2-cyclopentylacetamide.
What is the SMILES notation for N-[(2-bromocyclohexyl)methyl]-2-cyclopentylacetamide?
The canonical SMILES for N-[(2-bromocyclohexyl)methyl]-2-cyclopentylacetamide is O=C(CC1CCCC1)NCC1CCCCC1Br.
What is the InChIKey of N-[(2-bromocyclohexyl)methyl]-2-cyclopentylacetamide?
The InChIKey is PSIULUKOBPMXOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24BrNO/c15-13-8-4-3-7-12(13)10-16-14(17)9-11-5-1-2-6-11/h11-13H,1-10H2,(H,16,17).
What are the key properties of N-[(2-bromocyclohexyl)methyl]-2-cyclopentylacetamide?
N-[(2-bromocyclohexyl)methyl]-2-cyclopentylacetamide has a molecular weight of 302.26 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromocyclohexyl)methyl]-2-cyclopentylacetamide is sourced from PubChem (CID 114312260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).