N-[2-(chloromethyl)cyclopentyl]cycloheptanecarboxamide

C14H24ClNO — CID 106366097

IUPACN-[2-(chloromethyl)cyclopentyl]cycloheptanecarboxamide
SMILESO=C(NC1CCCC1CCl)C1CCCCCC1
InChIInChI=1S/C14H24ClNO/c15-10-12-8-5-9-13(12)16-14(17)11-6-3-1-2-4-7-11/h11-13H,1-10H2,(H,16,17)
InChIKeyLCBYKYZWCUCCLN-UHFFFAOYSA-N
MW257.80 g/mol
LogP3.48
Rot. Bonds3

About N-[2-(chloromethyl)cyclopentyl]cycloheptanecarboxamide

N-[2-(chloromethyl)cyclopentyl]cycloheptanecarboxamide (PubChem CID 106366097) has the molecular formula C14H24ClNO and a molecular weight of 257.80 g/mol. Its IUPAC name is N-[2-(chloromethyl)cyclopentyl]cycloheptanecarboxamide.

Molecular Properties

Compound NameN-[2-(chloromethyl)cyclopentyl]cycloheptanecarboxamide
PubChem CID106366097
Molecular FormulaC14H24ClNO
Molecular Weight257.80 g/mol
Exact Mass257.15
IUPAC NameN-[2-(chloromethyl)cyclopentyl]cycloheptanecarboxamide
SMILESO=C(NC1CCCC1CCl)C1CCCCCC1
InChIInChI=1S/C14H24ClNO/c15-10-12-8-5-9-13(12)16-14(17)11-6-3-1-2-4-7-11/h11-13H,1-10H2,(H,16,17)
InChIKeyLCBYKYZWCUCCLN-UHFFFAOYSA-N
XLogP3.48
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.80
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[2-(chloromethyl)cyclopentyl]cycloheptanecarboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(chloromethyl)cyclopentyl]cycloheptanecarboxamide?
The IUPAC name of N-[2-(chloromethyl)cyclopentyl]cycloheptanecarboxamide (CID 106366097) is N-[2-(chloromethyl)cyclopentyl]cycloheptanecarboxamide.
What is the SMILES notation for N-[2-(chloromethyl)cyclopentyl]cycloheptanecarboxamide?
The canonical SMILES for N-[2-(chloromethyl)cyclopentyl]cycloheptanecarboxamide is O=C(NC1CCCC1CCl)C1CCCCCC1.
What is the InChIKey of N-[2-(chloromethyl)cyclopentyl]cycloheptanecarboxamide?
The InChIKey is LCBYKYZWCUCCLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24ClNO/c15-10-12-8-5-9-13(12)16-14(17)11-6-3-1-2-4-7-11/h11-13H,1-10H2,(H,16,17).
What are the key properties of N-[2-(chloromethyl)cyclopentyl]cycloheptanecarboxamide?
N-[2-(chloromethyl)cyclopentyl]cycloheptanecarboxamide has a molecular weight of 257.80 g/mol, XLogP of 3.48, 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]cycloheptanecarboxamide is sourced from PubChem (CID 106366097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).