N-[(3-bromocyclopentyl)methyl]-2-cyclopentylacetamide

C13H22BrNO — CID 106128972

IUPACN-[(3-bromocyclopentyl)methyl]-2-cyclopentylacetamide
SMILESO=C(CC1CCCC1)NCC1CCC(Br)C1
InChIInChI=1S/C13H22BrNO/c14-12-6-5-11(7-12)9-15-13(16)8-10-3-1-2-4-10/h10-12H,1-9H2,(H,15,16)
InChIKeyHVPHWDVQGRIOCL-UHFFFAOYSA-N
MW288.23 g/mol
LogP3.25
Rot. Bonds4

About N-[(3-bromocyclopentyl)methyl]-2-cyclopentylacetamide

N-[(3-bromocyclopentyl)methyl]-2-cyclopentylacetamide (PubChem CID 106128972) has the molecular formula C13H22BrNO and a molecular weight of 288.23 g/mol. Its IUPAC name is N-[(3-bromocyclopentyl)methyl]-2-cyclopentylacetamide.

Molecular Properties

Compound NameN-[(3-bromocyclopentyl)methyl]-2-cyclopentylacetamide
PubChem CID106128972
Molecular FormulaC13H22BrNO
Molecular Weight288.23 g/mol
Exact Mass287.09
IUPAC NameN-[(3-bromocyclopentyl)methyl]-2-cyclopentylacetamide
SMILESO=C(CC1CCCC1)NCC1CCC(Br)C1
InChIInChI=1S/C13H22BrNO/c14-12-6-5-11(7-12)9-15-13(16)8-10-3-1-2-4-10/h10-12H,1-9H2,(H,15,16)
InChIKeyHVPHWDVQGRIOCL-UHFFFAOYSA-N
XLogP3.25
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.23
LogP ≤ 53.25
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

2-(4-aminocyclohexyl)-N-(cyclopentylmethyl)acetamide
CID 62782345
N-[(3-bromocyclopentyl)methyl]cycloheptanecarboxamide
CID 106128574
N-[(3-aminocyclohexyl)methyl]-2-cyclohexylacetamide
CID 106123088
2-(2-bicyclo[2.2.1]heptanyl)-N-[(3-bromocyclopentyl)methyl]acetamide
CID 106129003
2-[4-(aminomethyl)cyclohexyl]-N-(cyclopentylmethyl)acetamide
CID 63613215
N-[(4-bromocyclohexyl)methyl]-2-(thian-4-yl)acetamide
CID 106134576
N-[(3-aminocyclopentyl)methyl]-2-cyclopropylacetamide
CID 83619287
2-cyclopropyl-N-[(3-hydroxycyclopentyl)methyl]acetamide
CID 103280419
N-[(2-bromocyclohexyl)methyl]-2-cyclopentylacetamide
CID 114312260
N-[(3-bromocyclopentyl)methyl]-4-methylpentanamide
CID 106128914
N-[(3-bromocyclohexyl)methyl]-3,3-dimethylbutanamide
CID 106132571
2-cycloheptyl-N-(piperidin-4-ylmethyl)acetamide
CID 115736681

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromocyclopentyl)methyl]-2-cyclopentylacetamide?
The IUPAC name of N-[(3-bromocyclopentyl)methyl]-2-cyclopentylacetamide (CID 106128972) is N-[(3-bromocyclopentyl)methyl]-2-cyclopentylacetamide.
What is the SMILES notation for N-[(3-bromocyclopentyl)methyl]-2-cyclopentylacetamide?
The canonical SMILES for N-[(3-bromocyclopentyl)methyl]-2-cyclopentylacetamide is O=C(CC1CCCC1)NCC1CCC(Br)C1.
What is the InChIKey of N-[(3-bromocyclopentyl)methyl]-2-cyclopentylacetamide?
The InChIKey is HVPHWDVQGRIOCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22BrNO/c14-12-6-5-11(7-12)9-15-13(16)8-10-3-1-2-4-10/h10-12H,1-9H2,(H,15,16).
What are the key properties of N-[(3-bromocyclopentyl)methyl]-2-cyclopentylacetamide?
N-[(3-bromocyclopentyl)methyl]-2-cyclopentylacetamide has a molecular weight of 288.23 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromocyclopentyl)methyl]-2-cyclopentylacetamide is sourced from PubChem (CID 106128972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).