2-chloro-N-cyclopropyl-2-[2-(trifluoromethyl)phenyl]acetamide

C12H11ClF3NO — CID 55048150

IUPAC2-chloro-N-cyclopropyl-2-[2-(trifluoromethyl)phenyl]acetamide
SMILESO=C(NC1CC1)C(Cl)c1ccccc1C(F)(F)F
InChIInChI=1S/C12H11ClF3NO/c13-10(11(18)17-7-5-6-7)8-3-1-2-4-9(8)12(14,15)16/h1-4,7,10H,5-6H2,(H,17,18)
InChIKeyVOWFUNPSNTZXAE-UHFFFAOYSA-N
MW277.67 g/mol
LogP3.26
Rot. Bonds3

About 2-chloro-N-cyclopropyl-2-[2-(trifluoromethyl)phenyl]acetamide

2-chloro-N-cyclopropyl-2-[2-(trifluoromethyl)phenyl]acetamide (PubChem CID 55048150) has the molecular formula C12H11ClF3NO and a molecular weight of 277.67 g/mol. Its IUPAC name is 2-chloro-N-cyclopropyl-2-[2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-cyclopropyl-2-[2-(trifluoromethyl)phenyl]acetamide
PubChem CID55048150
Molecular FormulaC12H11ClF3NO
Molecular Weight277.67 g/mol
Exact Mass277.05
IUPAC Name2-chloro-N-cyclopropyl-2-[2-(trifluoromethyl)phenyl]acetamide
SMILESO=C(NC1CC1)C(Cl)c1ccccc1C(F)(F)F
InChIInChI=1S/C12H11ClF3NO/c13-10(11(18)17-7-5-6-7)8-3-1-2-4-9(8)12(14,15)16/h1-4,7,10H,5-6H2,(H,17,18)
InChIKeyVOWFUNPSNTZXAE-UHFFFAOYSA-N
XLogP3.26
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.67
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-chloro-N-cyclopropyl-2-[2-(trifluoromethyl)phenyl]acetamide 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-cyclopropyl-2-[2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-chloro-N-cyclopropyl-2-[2-(trifluoromethyl)phenyl]acetamide (CID 55048150) is 2-chloro-N-cyclopropyl-2-[2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-chloro-N-cyclopropyl-2-[2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-chloro-N-cyclopropyl-2-[2-(trifluoromethyl)phenyl]acetamide is O=C(NC1CC1)C(Cl)c1ccccc1C(F)(F)F.
What is the InChIKey of 2-chloro-N-cyclopropyl-2-[2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is VOWFUNPSNTZXAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClF3NO/c13-10(11(18)17-7-5-6-7)8-3-1-2-4-9(8)12(14,15)16/h1-4,7,10H,5-6H2,(H,17,18).
What are the key properties of 2-chloro-N-cyclopropyl-2-[2-(trifluoromethyl)phenyl]acetamide?
2-chloro-N-cyclopropyl-2-[2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 277.67 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclopropyl-2-[2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 55048150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).