N-[1-(2-chloroacetyl)cyclopentyl]-2,2-difluoroacetamide

C9H12ClF2NO2 — CID 103516230

IUPACN-[1-(2-chloroacetyl)cyclopentyl]-2,2-difluoroacetamide
SMILESO=C(NC1(C(=O)CCl)CCCC1)C(F)F
InChIInChI=1S/C9H12ClF2NO2/c10-5-6(14)9(3-1-2-4-9)13-8(15)7(11)12/h7H,1-5H2,(H,13,15)
InChIKeyNMSWKQGRKZBLEF-UHFFFAOYSA-N
MW239.65 g/mol
LogP1.49
Rot. Bonds4

About N-[1-(2-chloroacetyl)cyclopentyl]-2,2-difluoroacetamide

N-[1-(2-chloroacetyl)cyclopentyl]-2,2-difluoroacetamide (PubChem CID 103516230) has the molecular formula C9H12ClF2NO2 and a molecular weight of 239.65 g/mol. Its IUPAC name is N-[1-(2-chloroacetyl)cyclopentyl]-2,2-difluoroacetamide.

Molecular Properties

Compound NameN-[1-(2-chloroacetyl)cyclopentyl]-2,2-difluoroacetamide
PubChem CID103516230
Molecular FormulaC9H12ClF2NO2
Molecular Weight239.65 g/mol
Exact Mass239.05
IUPAC NameN-[1-(2-chloroacetyl)cyclopentyl]-2,2-difluoroacetamide
SMILESO=C(NC1(C(=O)CCl)CCCC1)C(F)F
InChIInChI=1S/C9H12ClF2NO2/c10-5-6(14)9(3-1-2-4-9)13-8(15)7(11)12/h7H,1-5H2,(H,13,15)
InChIKeyNMSWKQGRKZBLEF-UHFFFAOYSA-N
XLogP1.49
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.65
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[1-(2-chloroacetyl)cyclopentyl]-2,2-difluoroacetamide 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-[1-(2-chloroacetyl)cyclopentyl]-2,2-difluoroacetamide?
The IUPAC name of N-[1-(2-chloroacetyl)cyclopentyl]-2,2-difluoroacetamide (CID 103516230) is N-[1-(2-chloroacetyl)cyclopentyl]-2,2-difluoroacetamide.
What is the SMILES notation for N-[1-(2-chloroacetyl)cyclopentyl]-2,2-difluoroacetamide?
The canonical SMILES for N-[1-(2-chloroacetyl)cyclopentyl]-2,2-difluoroacetamide is O=C(NC1(C(=O)CCl)CCCC1)C(F)F.
What is the InChIKey of N-[1-(2-chloroacetyl)cyclopentyl]-2,2-difluoroacetamide?
The InChIKey is NMSWKQGRKZBLEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClF2NO2/c10-5-6(14)9(3-1-2-4-9)13-8(15)7(11)12/h7H,1-5H2,(H,13,15).
What are the key properties of N-[1-(2-chloroacetyl)cyclopentyl]-2,2-difluoroacetamide?
N-[1-(2-chloroacetyl)cyclopentyl]-2,2-difluoroacetamide has a molecular weight of 239.65 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chloroacetyl)cyclopentyl]-2,2-difluoroacetamide is sourced from PubChem (CID 103516230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).