N-[2-(chloromethyl)cyclopentyl]-1-methylcyclopentane-1-carboxamide

C13H22ClNO — CID 106365855

IUPACN-[2-(chloromethyl)cyclopentyl]-1-methylcyclopentane-1-carboxamide
SMILESCC1(C(=O)NC2CCCC2CCl)CCCC1
InChIInChI=1S/C13H22ClNO/c1-13(7-2-3-8-13)12(16)15-11-6-4-5-10(11)9-14/h10-11H,2-9H2,1H3,(H,15,16)
InChIKeyUTDNKWWPUDMGQR-UHFFFAOYSA-N
MW243.78 g/mol
LogP3.09
Rot. Bonds3

About N-[2-(chloromethyl)cyclopentyl]-1-methylcyclopentane-1-carboxamide

N-[2-(chloromethyl)cyclopentyl]-1-methylcyclopentane-1-carboxamide (PubChem CID 106365855) has the molecular formula C13H22ClNO and a molecular weight of 243.78 g/mol. Its IUPAC name is N-[2-(chloromethyl)cyclopentyl]-1-methylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(chloromethyl)cyclopentyl]-1-methylcyclopentane-1-carboxamide
PubChem CID106365855
Molecular FormulaC13H22ClNO
Molecular Weight243.78 g/mol
Exact Mass243.14
IUPAC NameN-[2-(chloromethyl)cyclopentyl]-1-methylcyclopentane-1-carboxamide
SMILESCC1(C(=O)NC2CCCC2CCl)CCCC1
InChIInChI=1S/C13H22ClNO/c1-13(7-2-3-8-13)12(16)15-11-6-4-5-10(11)9-14/h10-11H,2-9H2,1H3,(H,15,16)
InChIKeyUTDNKWWPUDMGQR-UHFFFAOYSA-N
XLogP3.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.78
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(chloromethyl)cyclopentyl]-1-methylcyclopentane-1-carboxamide?
The IUPAC name of N-[2-(chloromethyl)cyclopentyl]-1-methylcyclopentane-1-carboxamide (CID 106365855) is N-[2-(chloromethyl)cyclopentyl]-1-methylcyclopentane-1-carboxamide.
What is the SMILES notation for N-[2-(chloromethyl)cyclopentyl]-1-methylcyclopentane-1-carboxamide?
The canonical SMILES for N-[2-(chloromethyl)cyclopentyl]-1-methylcyclopentane-1-carboxamide is CC1(C(=O)NC2CCCC2CCl)CCCC1.
What is the InChIKey of N-[2-(chloromethyl)cyclopentyl]-1-methylcyclopentane-1-carboxamide?
The InChIKey is UTDNKWWPUDMGQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClNO/c1-13(7-2-3-8-13)12(16)15-11-6-4-5-10(11)9-14/h10-11H,2-9H2,1H3,(H,15,16).
What are the key properties of N-[2-(chloromethyl)cyclopentyl]-1-methylcyclopentane-1-carboxamide?
N-[2-(chloromethyl)cyclopentyl]-1-methylcyclopentane-1-carboxamide has a molecular weight of 243.78 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(chloromethyl)cyclopentyl]-1-methylcyclopentane-1-carboxamide is sourced from PubChem (CID 106365855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).