N-[(3-bromocyclopentyl)methyl]-2,2-dimethylcyclopentane-1-carboxamide

C14H24BrNO — CID 106128288

IUPACN-[(3-bromocyclopentyl)methyl]-2,2-dimethylcyclopentane-1-carboxamide
SMILESCC1(C)CCCC1C(=O)NCC1CCC(Br)C1
InChIInChI=1S/C14H24BrNO/c1-14(2)7-3-4-12(14)13(17)16-9-10-5-6-11(15)8-10/h10-12H,3-9H2,1-2H3,(H,16,17)
InChIKeyHZWOKMGTJLDRNA-UHFFFAOYSA-N
MW302.26 g/mol
LogP3.49
Rot. Bonds3

About N-[(3-bromocyclopentyl)methyl]-2,2-dimethylcyclopentane-1-carboxamide

N-[(3-bromocyclopentyl)methyl]-2,2-dimethylcyclopentane-1-carboxamide (PubChem CID 106128288) has the molecular formula C14H24BrNO and a molecular weight of 302.26 g/mol. Its IUPAC name is N-[(3-bromocyclopentyl)methyl]-2,2-dimethylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[(3-bromocyclopentyl)methyl]-2,2-dimethylcyclopentane-1-carboxamide
PubChem CID106128288
Molecular FormulaC14H24BrNO
Molecular Weight302.26 g/mol
Exact Mass301.10
IUPAC NameN-[(3-bromocyclopentyl)methyl]-2,2-dimethylcyclopentane-1-carboxamide
SMILESCC1(C)CCCC1C(=O)NCC1CCC(Br)C1
InChIInChI=1S/C14H24BrNO/c1-14(2)7-3-4-12(14)13(17)16-9-10-5-6-11(15)8-10/h10-12H,3-9H2,1-2H3,(H,16,17)
InChIKeyHZWOKMGTJLDRNA-UHFFFAOYSA-N
XLogP3.49
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 ≤ 53.49
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-[(3-chlorocyclohexyl)methyl]-2,2-dimethylcyclopentane-1-carboxamide
CID 106132007
N-[(3-bromocyclopentyl)methyl]cycloheptanecarboxamide
CID 106128574
N-(2-bromoprop-2-enyl)-2,2-dimethylcyclopentane-1-carboxamide
CID 104917114
N-[[2-(bromomethyl)cyclohexyl]methyl]-2,2-dimethylcyclohexane-1-carboxamide
CID 107184222
N-(4-bromobutyl)-2,2-dimethylcyclopentane-1-carboxamide
CID 107184530
N-[[1-(chloromethyl)cyclopentyl]methyl]-2,2-dimethylcyclopentane-1-carboxamide
CID 107184226
N-[(3-bromocyclopentyl)methyl]-5-methyloxolane-2-carboxamide
CID 106128505
N-[(3-bromocyclopentyl)methyl]-4-(trifluoromethyl)cyclohexane-1-carboxamide
CID 106127906
(1S)-N-(cyclobutylmethyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 130626986
N-[(3-bromocyclopentyl)methyl]-2-cyclopentylacetamide
CID 106128972
2,2-dimethyl-N-(2-oxopropyl)cyclohexane-1-carboxamide
CID 107178834
N-(3-hydroxy-2-methylpropyl)-2,2-dimethylcyclopentane-1-carboxamide
CID 104918370

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromocyclopentyl)methyl]-2,2-dimethylcyclopentane-1-carboxamide?
The IUPAC name of N-[(3-bromocyclopentyl)methyl]-2,2-dimethylcyclopentane-1-carboxamide (CID 106128288) is N-[(3-bromocyclopentyl)methyl]-2,2-dimethylcyclopentane-1-carboxamide.
What is the SMILES notation for N-[(3-bromocyclopentyl)methyl]-2,2-dimethylcyclopentane-1-carboxamide?
The canonical SMILES for N-[(3-bromocyclopentyl)methyl]-2,2-dimethylcyclopentane-1-carboxamide is CC1(C)CCCC1C(=O)NCC1CCC(Br)C1.
What is the InChIKey of N-[(3-bromocyclopentyl)methyl]-2,2-dimethylcyclopentane-1-carboxamide?
The InChIKey is HZWOKMGTJLDRNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24BrNO/c1-14(2)7-3-4-12(14)13(17)16-9-10-5-6-11(15)8-10/h10-12H,3-9H2,1-2H3,(H,16,17).
What are the key properties of N-[(3-bromocyclopentyl)methyl]-2,2-dimethylcyclopentane-1-carboxamide?
N-[(3-bromocyclopentyl)methyl]-2,2-dimethylcyclopentane-1-carboxamide has a molecular weight of 302.26 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromocyclopentyl)methyl]-2,2-dimethylcyclopentane-1-carboxamide is sourced from PubChem (CID 106128288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).