N-[(2-chlorocyclopentyl)methyl]-1-(2-methylpropyl)cyclopentane-1-carboxamide

C16H28ClNO — CID 113272943

IUPACN-[(2-chlorocyclopentyl)methyl]-1-(2-methylpropyl)cyclopentane-1-carboxamide
SMILESCC(C)CC1(C(=O)NCC2CCCC2Cl)CCCC1
InChIInChI=1S/C16H28ClNO/c1-12(2)10-16(8-3-4-9-16)15(19)18-11-13-6-5-7-14(13)17/h12-14H,3-11H2,1-2H3,(H,18,19)
InChIKeyXRNKODGNZVCHSM-UHFFFAOYSA-N
MW285.86 g/mol
LogP4.12
Rot. Bonds5

About N-[(2-chlorocyclopentyl)methyl]-1-(2-methylpropyl)cyclopentane-1-carboxamide

N-[(2-chlorocyclopentyl)methyl]-1-(2-methylpropyl)cyclopentane-1-carboxamide (PubChem CID 113272943) has the molecular formula C16H28ClNO and a molecular weight of 285.86 g/mol. Its IUPAC name is N-[(2-chlorocyclopentyl)methyl]-1-(2-methylpropyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorocyclopentyl)methyl]-1-(2-methylpropyl)cyclopentane-1-carboxamide
PubChem CID113272943
Molecular FormulaC16H28ClNO
Molecular Weight285.86 g/mol
Exact Mass285.19
IUPAC NameN-[(2-chlorocyclopentyl)methyl]-1-(2-methylpropyl)cyclopentane-1-carboxamide
SMILESCC(C)CC1(C(=O)NCC2CCCC2Cl)CCCC1
InChIInChI=1S/C16H28ClNO/c1-12(2)10-16(8-3-4-9-16)15(19)18-11-13-6-5-7-14(13)17/h12-14H,3-11H2,1-2H3,(H,18,19)
InChIKeyXRNKODGNZVCHSM-UHFFFAOYSA-N
XLogP4.12
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.86
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze N-[(2-chlorocyclopentyl)methyl]-1-(2-methylpropyl)cyclopentane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-chlorocyclopentyl)-1-(2-methylpropyl)cyclopentane-1-carboxamide
CID 106443971
N-[1-(bromomethyl)-4-methylcyclohexyl]-1-(2-methylpropyl)cyclopentane-1-carboxamide
CID 114315007
(2S)-2-hydroxy-3-[[1-(2-methylpropyl)cyclopentanecarbonyl]amino]propanoic acid
CID 107833146
N-[(2-chlorocyclopentyl)methyl]-2,2-dimethylcyclopropane-1-carboxamide
CID 107003247
N-[2-methyl-3-(methylamino)propyl]-1-(2-methylpropyl)cyclopentane-1-carboxamide
CID 81479281
N-(4-hydroxy-2,2-dimethylbutyl)-1-(2-methylpropyl)cyclopentane-1-carboxamide
CID 103825192
N-(2-bromo-4-methylpentyl)-1-(2-methylpropyl)cyclopentane-1-carboxamide
CID 107157722
1-(2-methylpropyl)-N-(2-pyrrolidin-2-ylethyl)cyclopentane-1-carboxamide
CID 114793919
N-[[4-(bromomethyl)phenyl]methyl]-1-(2-methylpropyl)cyclopentane-1-carboxamide
CID 107233782
N-(4-bromo-2,2-dimethylbutyl)-1-(2-methylpropyl)cyclopentane-1-carboxamide
CID 114149392
N-(4-chloropentan-2-yl)-1-(2-methylpropyl)cyclopentane-1-carboxamide
CID 113376732
N-(2,2-difluoro-3-hydroxypropyl)-1-(2-methylpropyl)cyclopentane-1-carboxamide
CID 104857707

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorocyclopentyl)methyl]-1-(2-methylpropyl)cyclopentane-1-carboxamide?
The IUPAC name of N-[(2-chlorocyclopentyl)methyl]-1-(2-methylpropyl)cyclopentane-1-carboxamide (CID 113272943) is N-[(2-chlorocyclopentyl)methyl]-1-(2-methylpropyl)cyclopentane-1-carboxamide.
What is the SMILES notation for N-[(2-chlorocyclopentyl)methyl]-1-(2-methylpropyl)cyclopentane-1-carboxamide?
The canonical SMILES for N-[(2-chlorocyclopentyl)methyl]-1-(2-methylpropyl)cyclopentane-1-carboxamide is CC(C)CC1(C(=O)NCC2CCCC2Cl)CCCC1.
What is the InChIKey of N-[(2-chlorocyclopentyl)methyl]-1-(2-methylpropyl)cyclopentane-1-carboxamide?
The InChIKey is XRNKODGNZVCHSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28ClNO/c1-12(2)10-16(8-3-4-9-16)15(19)18-11-13-6-5-7-14(13)17/h12-14H,3-11H2,1-2H3,(H,18,19).
What are the key properties of N-[(2-chlorocyclopentyl)methyl]-1-(2-methylpropyl)cyclopentane-1-carboxamide?
N-[(2-chlorocyclopentyl)methyl]-1-(2-methylpropyl)cyclopentane-1-carboxamide has a molecular weight of 285.86 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorocyclopentyl)methyl]-1-(2-methylpropyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 113272943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).