N-[2-(chloromethyl)cyclopentyl]-3-methylpentanamide

C12H22ClNO — CID 106366056

IUPACN-[2-(chloromethyl)cyclopentyl]-3-methylpentanamide
SMILESCCC(C)CC(=O)NC1CCCC1CCl
InChIInChI=1S/C12H22ClNO/c1-3-9(2)7-12(15)14-11-6-4-5-10(11)8-13/h9-11H,3-8H2,1-2H3,(H,14,15)
InChIKeyUQZMSWKEWKRFQR-UHFFFAOYSA-N
MW231.77 g/mol
LogP2.95
Rot. Bonds5

About N-[2-(chloromethyl)cyclopentyl]-3-methylpentanamide

N-[2-(chloromethyl)cyclopentyl]-3-methylpentanamide (PubChem CID 106366056) has the molecular formula C12H22ClNO and a molecular weight of 231.77 g/mol. Its IUPAC name is N-[2-(chloromethyl)cyclopentyl]-3-methylpentanamide.

Molecular Properties

Compound NameN-[2-(chloromethyl)cyclopentyl]-3-methylpentanamide
PubChem CID106366056
Molecular FormulaC12H22ClNO
Molecular Weight231.77 g/mol
Exact Mass231.14
IUPAC NameN-[2-(chloromethyl)cyclopentyl]-3-methylpentanamide
SMILESCCC(C)CC(=O)NC1CCCC1CCl
InChIInChI=1S/C12H22ClNO/c1-3-9(2)7-12(15)14-11-6-4-5-10(11)8-13/h9-11H,3-8H2,1-2H3,(H,14,15)
InChIKeyUQZMSWKEWKRFQR-UHFFFAOYSA-N
XLogP2.95
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.77
LogP ≤ 52.95
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]-3-methylpentanamide?
The IUPAC name of N-[2-(chloromethyl)cyclopentyl]-3-methylpentanamide (CID 106366056) is N-[2-(chloromethyl)cyclopentyl]-3-methylpentanamide.
What is the SMILES notation for N-[2-(chloromethyl)cyclopentyl]-3-methylpentanamide?
The canonical SMILES for N-[2-(chloromethyl)cyclopentyl]-3-methylpentanamide is CCC(C)CC(=O)NC1CCCC1CCl.
What is the InChIKey of N-[2-(chloromethyl)cyclopentyl]-3-methylpentanamide?
The InChIKey is UQZMSWKEWKRFQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22ClNO/c1-3-9(2)7-12(15)14-11-6-4-5-10(11)8-13/h9-11H,3-8H2,1-2H3,(H,14,15).
What are the key properties of N-[2-(chloromethyl)cyclopentyl]-3-methylpentanamide?
N-[2-(chloromethyl)cyclopentyl]-3-methylpentanamide has a molecular weight of 231.77 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(chloromethyl)cyclopentyl]-3-methylpentanamide is sourced from PubChem (CID 106366056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).