N-[2-(bromomethyl)cyclopentyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide

C14H24BrNO — CID 106366495

IUPACN-[2-(bromomethyl)cyclopentyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide
SMILESCC1(C)C(C(=O)NC2CCCC2CBr)C1(C)C
InChIInChI=1S/C14H24BrNO/c1-13(2)11(14(13,3)4)12(17)16-10-7-5-6-9(10)8-15/h9-11H,5-8H2,1-4H3,(H,16,17)
InChIKeyWUICGVNHINBJRI-UHFFFAOYSA-N
MW302.26 g/mol
LogP3.35
Rot. Bonds3

About N-[2-(bromomethyl)cyclopentyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide

N-[2-(bromomethyl)cyclopentyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide (PubChem CID 106366495) has the molecular formula C14H24BrNO and a molecular weight of 302.26 g/mol. Its IUPAC name is N-[2-(bromomethyl)cyclopentyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(bromomethyl)cyclopentyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide
PubChem CID106366495
Molecular FormulaC14H24BrNO
Molecular Weight302.26 g/mol
Exact Mass301.10
IUPAC NameN-[2-(bromomethyl)cyclopentyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide
SMILESCC1(C)C(C(=O)NC2CCCC2CBr)C1(C)C
InChIInChI=1S/C14H24BrNO/c1-13(2)11(14(13,3)4)12(17)16-10-7-5-6-9(10)8-15/h9-11H,5-8H2,1-4H3,(H,16,17)
InChIKeyWUICGVNHINBJRI-UHFFFAOYSA-N
XLogP3.35
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 ≤ 53.35
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]-3,3-difluorocyclopentane-1-carboxamide
CID 114226705
N-[(1S,2S)-2-cyanocyclopentyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 97121023
N-[2-(bromomethyl)cyclopentyl]-2-cyclopentylacetamide
CID 106366407
N-[2-(bromomethyl)cyclopentyl]-2-methylsulfonylpropanamide
CID 106366596
N-[2-(bromomethyl)cyclohexyl]-2-ethyloxolane-3-carboxamide
CID 106367342
N-[2-(bromomethyl)cyclohexyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 106367196
N-[2-(bromomethyl)cyclohexyl]pentanamide
CID 106367298
N-[2-(bromomethyl)cyclopentyl]-2-chlorobenzamide
CID 106366339
N-[2-(bromomethyl)cyclopentyl]-2-iodo-3-methylbenzamide
CID 114179537
N-[2-(chloromethyl)cyclohexyl]cyclobutanecarboxamide
CID 106366933
N-[2-(bromomethyl)cyclopentyl]-4-propan-2-ylbenzamide
CID 114179456
N-[2-(bromomethyl)cyclopentyl]-4-methylthiadiazole-5-carboxamide
CID 106366535

Frequently Asked Questions

What is the IUPAC name of N-[2-(bromomethyl)cyclopentyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide?
The IUPAC name of N-[2-(bromomethyl)cyclopentyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide (CID 106366495) is N-[2-(bromomethyl)cyclopentyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[2-(bromomethyl)cyclopentyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide?
The canonical SMILES for N-[2-(bromomethyl)cyclopentyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide is CC1(C)C(C(=O)NC2CCCC2CBr)C1(C)C.
What is the InChIKey of N-[2-(bromomethyl)cyclopentyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide?
The InChIKey is WUICGVNHINBJRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24BrNO/c1-13(2)11(14(13,3)4)12(17)16-10-7-5-6-9(10)8-15/h9-11H,5-8H2,1-4H3,(H,16,17).
What are the key properties of N-[2-(bromomethyl)cyclopentyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide?
N-[2-(bromomethyl)cyclopentyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide has a molecular weight of 302.26 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(bromomethyl)cyclopentyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide is sourced from PubChem (CID 106366495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).