2-chloro-N-[2-[cyclopropyl(methyl)amino]propyl]-2-fluoroacetamide

C9H16ClFN2O — CID 166427743

IUPAC2-chloro-N-[2-[cyclopropyl(methyl)amino]propyl]-2-fluoroacetamide
SMILESCC(CNC(=O)C(F)Cl)N(C)C1CC1
InChIInChI=1S/C9H16ClFN2O/c1-6(13(2)7-3-4-7)5-12-9(14)8(10)11/h6-8H,3-5H2,1-2H3,(H,12,14)
InChIKeyNBOLNETXUKUSGT-UHFFFAOYSA-N
MW222.69 g/mol
LogP1.12
Rot. Bonds5

About 2-chloro-N-[2-[cyclopropyl(methyl)amino]propyl]-2-fluoroacetamide

2-chloro-N-[2-[cyclopropyl(methyl)amino]propyl]-2-fluoroacetamide (PubChem CID 166427743) has the molecular formula C9H16ClFN2O and a molecular weight of 222.69 g/mol. Its IUPAC name is 2-chloro-N-[2-[cyclopropyl(methyl)amino]propyl]-2-fluoroacetamide.

Molecular Properties

Compound Name2-chloro-N-[2-[cyclopropyl(methyl)amino]propyl]-2-fluoroacetamide
PubChem CID166427743
Molecular FormulaC9H16ClFN2O
Molecular Weight222.69 g/mol
Exact Mass222.09
IUPAC Name2-chloro-N-[2-[cyclopropyl(methyl)amino]propyl]-2-fluoroacetamide
SMILESCC(CNC(=O)C(F)Cl)N(C)C1CC1
InChIInChI=1S/C9H16ClFN2O/c1-6(13(2)7-3-4-7)5-12-9(14)8(10)11/h6-8H,3-5H2,1-2H3,(H,12,14)
InChIKeyNBOLNETXUKUSGT-UHFFFAOYSA-N
XLogP1.12
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.69
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-chloro-N-[2-[cyclopropyl(methyl)amino]propyl]-2-fluoroacetamide 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 2-chloro-N-[2-[cyclopropyl(methyl)amino]propyl]-2-fluoroacetamide?
The IUPAC name of 2-chloro-N-[2-[cyclopropyl(methyl)amino]propyl]-2-fluoroacetamide (CID 166427743) is 2-chloro-N-[2-[cyclopropyl(methyl)amino]propyl]-2-fluoroacetamide.
What is the SMILES notation for 2-chloro-N-[2-[cyclopropyl(methyl)amino]propyl]-2-fluoroacetamide?
The canonical SMILES for 2-chloro-N-[2-[cyclopropyl(methyl)amino]propyl]-2-fluoroacetamide is CC(CNC(=O)C(F)Cl)N(C)C1CC1.
What is the InChIKey of 2-chloro-N-[2-[cyclopropyl(methyl)amino]propyl]-2-fluoroacetamide?
The InChIKey is NBOLNETXUKUSGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16ClFN2O/c1-6(13(2)7-3-4-7)5-12-9(14)8(10)11/h6-8H,3-5H2,1-2H3,(H,12,14).
What are the key properties of 2-chloro-N-[2-[cyclopropyl(methyl)amino]propyl]-2-fluoroacetamide?
2-chloro-N-[2-[cyclopropyl(methyl)amino]propyl]-2-fluoroacetamide has a molecular weight of 222.69 g/mol, XLogP of 1.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-[cyclopropyl(methyl)amino]propyl]-2-fluoroacetamide is sourced from PubChem (CID 166427743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).