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'}

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Related Compounds

9-Chloro-10 (ethylcarbamoyl)-octadecane
CID 129727440
(2R)-N-[(7R)-7-chloro-3-methylnonyl]-2,4-diethylheptanamide
CID 129060258
5-chloro-N-[(1-methylcyclopentyl)methyl]pentanamide
CID 63823154
3-chloro-N-[[1-(2-methylpropyl)cyclopentyl]methyl]propanamide
CID 80249934
5-chloro-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pentanamide
CID 80250022
4-chloro-N-[[1-(2-methylpropyl)cyclopentyl]methyl]butanamide
CID 80250023
3-chloro-2,2-dimethyl-N-[[1-(2-methylpropyl)cyclopentyl]methyl]propanamide
CID 80250108
3-chloro-2-methyl-N-[[1-(2-methylpropyl)cyclopentyl]methyl]propanamide
CID 80250262
N-(3-chloropropyl)-1-ethylcyclopentane-1-carboxamide
CID 80256645
N-(2-chloroethyl)-1-(2-methylpropyl)cyclopentane-1-carboxamide
CID 80256854
N-(3-chloropropyl)-1-methylcyclopentane-1-carboxamide
CID 80258656
N-(3-chloropropyl)-1-(2-methylpropyl)cyclopentane-1-carboxamide
CID 80258657

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).