N-[[1-(chloromethyl)cyclopentyl]methyl]-2,2-dimethylcyclopentane-1-carboxamide

C15H26ClNO — CID 107184226

IUPACN-[[1-(chloromethyl)cyclopentyl]methyl]-2,2-dimethylcyclopentane-1-carboxamide
SMILESCC1(C)CCCC1C(=O)NCC1(CCl)CCCC1
InChIInChI=1S/C15H26ClNO/c1-14(2)7-5-6-12(14)13(18)17-11-15(10-16)8-3-4-9-15/h12H,3-11H2,1-2H3,(H,17,18)
InChIKeyPXPPYBNJCPMDCK-UHFFFAOYSA-N
MW271.83 g/mol
LogP3.73
Rot. Bonds4

About N-[[1-(chloromethyl)cyclopentyl]methyl]-2,2-dimethylcyclopentane-1-carboxamide

N-[[1-(chloromethyl)cyclopentyl]methyl]-2,2-dimethylcyclopentane-1-carboxamide (PubChem CID 107184226) has the molecular formula C15H26ClNO and a molecular weight of 271.83 g/mol. Its IUPAC name is N-[[1-(chloromethyl)cyclopentyl]methyl]-2,2-dimethylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[[1-(chloromethyl)cyclopentyl]methyl]-2,2-dimethylcyclopentane-1-carboxamide
PubChem CID107184226
Molecular FormulaC15H26ClNO
Molecular Weight271.83 g/mol
Exact Mass271.17
IUPAC NameN-[[1-(chloromethyl)cyclopentyl]methyl]-2,2-dimethylcyclopentane-1-carboxamide
SMILESCC1(C)CCCC1C(=O)NCC1(CCl)CCCC1
InChIInChI=1S/C15H26ClNO/c1-14(2)7-5-6-12(14)13(18)17-11-15(10-16)8-3-4-9-15/h12H,3-11H2,1-2H3,(H,17,18)
InChIKeyPXPPYBNJCPMDCK-UHFFFAOYSA-N
XLogP3.73
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.83
LogP ≤ 53.73
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-(chloromethyl)cyclopentyl]methyl]-3,3-difluorocyclopentane-1-carboxamide
CID 114226649
4-tert-butyl-N-(3-chloropropyl)cyclohexane-1-carboxamide
CID 17164737
2-(2-bicyclo[2.2.1]heptanyl)-N-(3-chloropropyl)acetamide
CID 43133485
N-(3-chloropropyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 61365146
2-chloro-N,2-dicyclopentylacetamide
CID 62224793
2-chloro-2-cyclopentyl-N-propylacetamide
CID 62225322
2-chloro-2-cyclopentyl-N-ethylacetamide
CID 62225491
5-chloro-N-[(1-methylcyclopentyl)methyl]pentanamide
CID 63823154
2-(aminomethyl)-N-[(1-methylcyclopentyl)methyl]cyclopentane-1-carboxamide
CID 65894602
5-chloro-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pentanamide
CID 80250022
4-chloro-N-[[1-(2-methylpropyl)cyclopentyl]methyl]butanamide
CID 80250023
N-(3-chloropropyl)-1-ethylcyclopentane-1-carboxamide
CID 80256645

Frequently Asked Questions

What is the IUPAC name of N-[[1-(chloromethyl)cyclopentyl]methyl]-2,2-dimethylcyclopentane-1-carboxamide?
The IUPAC name of N-[[1-(chloromethyl)cyclopentyl]methyl]-2,2-dimethylcyclopentane-1-carboxamide (CID 107184226) is N-[[1-(chloromethyl)cyclopentyl]methyl]-2,2-dimethylcyclopentane-1-carboxamide.
What is the SMILES notation for N-[[1-(chloromethyl)cyclopentyl]methyl]-2,2-dimethylcyclopentane-1-carboxamide?
The canonical SMILES for N-[[1-(chloromethyl)cyclopentyl]methyl]-2,2-dimethylcyclopentane-1-carboxamide is CC1(C)CCCC1C(=O)NCC1(CCl)CCCC1.
What is the InChIKey of N-[[1-(chloromethyl)cyclopentyl]methyl]-2,2-dimethylcyclopentane-1-carboxamide?
The InChIKey is PXPPYBNJCPMDCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26ClNO/c1-14(2)7-5-6-12(14)13(18)17-11-15(10-16)8-3-4-9-15/h12H,3-11H2,1-2H3,(H,17,18).
What are the key properties of N-[[1-(chloromethyl)cyclopentyl]methyl]-2,2-dimethylcyclopentane-1-carboxamide?
N-[[1-(chloromethyl)cyclopentyl]methyl]-2,2-dimethylcyclopentane-1-carboxamide has a molecular weight of 271.83 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(chloromethyl)cyclopentyl]methyl]-2,2-dimethylcyclopentane-1-carboxamide is sourced from PubChem (CID 107184226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).