N-[1-(bromomethyl)cyclopentyl]-1-methylcyclopentane-1-carboxamide

C13H22BrNO — CID 114311375

IUPACN-[1-(bromomethyl)cyclopentyl]-1-methylcyclopentane-1-carboxamide
SMILESCC1(C(=O)NC2(CBr)CCCC2)CCCC1
InChIInChI=1S/C13H22BrNO/c1-12(6-2-3-7-12)11(16)15-13(10-14)8-4-5-9-13/h2-10H2,1H3,(H,15,16)
InChIKeyRVLWCVVKGBOCHJ-UHFFFAOYSA-N
MW288.23 g/mol
LogP3.39
Rot. Bonds3

About N-[1-(bromomethyl)cyclopentyl]-1-methylcyclopentane-1-carboxamide

N-[1-(bromomethyl)cyclopentyl]-1-methylcyclopentane-1-carboxamide (PubChem CID 114311375) has the molecular formula C13H22BrNO and a molecular weight of 288.23 g/mol. Its IUPAC name is N-[1-(bromomethyl)cyclopentyl]-1-methylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[1-(bromomethyl)cyclopentyl]-1-methylcyclopentane-1-carboxamide
PubChem CID114311375
Molecular FormulaC13H22BrNO
Molecular Weight288.23 g/mol
Exact Mass287.09
IUPAC NameN-[1-(bromomethyl)cyclopentyl]-1-methylcyclopentane-1-carboxamide
SMILESCC1(C(=O)NC2(CBr)CCCC2)CCCC1
InChIInChI=1S/C13H22BrNO/c1-12(6-2-3-7-12)11(16)15-13(10-14)8-4-5-9-13/h2-10H2,1H3,(H,15,16)
InChIKeyRVLWCVVKGBOCHJ-UHFFFAOYSA-N
XLogP3.39
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.23
LogP ≤ 53.39
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-[1-(bromomethyl)cyclobutyl]-1-methylcyclopropane-1-carboxamide
CID 126981194
N-[1-(bromomethyl)-3-methylcyclohexyl]-1-methylcyclohexane-1-carboxamide
CID 106829038
N-[1-(bromomethyl)cyclohexyl]-2-methylthiolane-2-carboxamide
CID 114314189
N-[1-(bromomethyl)cyclopentyl]butanamide
CID 114311287
N-[1-(bromomethyl)cyclohexyl]-3-methyl-2-propan-2-ylbutanamide
CID 114282347
N-[1-(bromomethyl)cyclopentyl]hexanamide
CID 114311357
methyl N-[[1-(bromomethyl)cyclobutyl]sulfamoyl]carbamate
CID 114466957
N-(1-bromopropan-2-yl)-1-methylcyclohexane-1-carboxamide
CID 106829026
3-bromo-N-[1-(bromomethyl)cyclopentyl]-2-methylbenzamide
CID 113274839
N-[1-(bromomethyl)-4-methylcyclohexyl]-1-(2-methylpropyl)cyclopentane-1-carboxamide
CID 114315007
N-[1-(bromomethyl)cyclohexyl]-3-(4-methylphenyl)propanamide
CID 114314101
N-[1-(bromomethyl)cyclopentyl]-4-hydroxybenzamide
CID 114311351

Frequently Asked Questions

What is the IUPAC name of N-[1-(bromomethyl)cyclopentyl]-1-methylcyclopentane-1-carboxamide?
The IUPAC name of N-[1-(bromomethyl)cyclopentyl]-1-methylcyclopentane-1-carboxamide (CID 114311375) is N-[1-(bromomethyl)cyclopentyl]-1-methylcyclopentane-1-carboxamide.
What is the SMILES notation for N-[1-(bromomethyl)cyclopentyl]-1-methylcyclopentane-1-carboxamide?
The canonical SMILES for N-[1-(bromomethyl)cyclopentyl]-1-methylcyclopentane-1-carboxamide is CC1(C(=O)NC2(CBr)CCCC2)CCCC1.
What is the InChIKey of N-[1-(bromomethyl)cyclopentyl]-1-methylcyclopentane-1-carboxamide?
The InChIKey is RVLWCVVKGBOCHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22BrNO/c1-12(6-2-3-7-12)11(16)15-13(10-14)8-4-5-9-13/h2-10H2,1H3,(H,15,16).
What are the key properties of N-[1-(bromomethyl)cyclopentyl]-1-methylcyclopentane-1-carboxamide?
N-[1-(bromomethyl)cyclopentyl]-1-methylcyclopentane-1-carboxamide has a molecular weight of 288.23 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(bromomethyl)cyclopentyl]-1-methylcyclopentane-1-carboxamide is sourced from PubChem (CID 114311375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).