2-chloro-3-oxo-3-phenyl-N-[3-(trifluoromethyl)phenyl]propanamide

C16H11ClF3NO2 — CID 4162926

IUPAC2-chloro-3-oxo-3-phenyl-N-[3-(trifluoromethyl)phenyl]propanamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)C(Cl)C(=O)c1ccccc1
InChIInChI=1S/C16H11ClF3NO2/c17-13(14(22)10-5-2-1-3-6-10)15(23)21-12-8-4-7-11(9-12)16(18,19)20/h1-9,13H,(H,21,23)
InChIKeySOGOIEQJXCAMJF-UHFFFAOYSA-N
MW341.72 g/mol
LogP4.13
Rot. Bonds4

About 2-chloro-3-oxo-3-phenyl-N-[3-(trifluoromethyl)phenyl]propanamide

2-chloro-3-oxo-3-phenyl-N-[3-(trifluoromethyl)phenyl]propanamide (PubChem CID 4162926) has the molecular formula C16H11ClF3NO2 and a molecular weight of 341.72 g/mol. Its IUPAC name is 2-chloro-3-oxo-3-phenyl-N-[3-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name2-chloro-3-oxo-3-phenyl-N-[3-(trifluoromethyl)phenyl]propanamide
PubChem CID4162926
Molecular FormulaC16H11ClF3NO2
Molecular Weight341.72 g/mol
Exact Mass341.04
IUPAC Name2-chloro-3-oxo-3-phenyl-N-[3-(trifluoromethyl)phenyl]propanamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)C(Cl)C(=O)c1ccccc1
InChIInChI=1S/C16H11ClF3NO2/c17-13(14(22)10-5-2-1-3-6-10)15(23)21-12-8-4-7-11(9-12)16(18,19)20/h1-9,13H,(H,21,23)
InChIKeySOGOIEQJXCAMJF-UHFFFAOYSA-N
XLogP4.13
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.72
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 2-chloro-3-oxo-3-phenyl-N-[3-(trifluoromethyl)phenyl]propanamide 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-3-oxo-3-phenyl-N-[3-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 2-chloro-3-oxo-3-phenyl-N-[3-(trifluoromethyl)phenyl]propanamide (CID 4162926) is 2-chloro-3-oxo-3-phenyl-N-[3-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 2-chloro-3-oxo-3-phenyl-N-[3-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 2-chloro-3-oxo-3-phenyl-N-[3-(trifluoromethyl)phenyl]propanamide is O=C(Nc1cccc(C(F)(F)F)c1)C(Cl)C(=O)c1ccccc1.
What is the InChIKey of 2-chloro-3-oxo-3-phenyl-N-[3-(trifluoromethyl)phenyl]propanamide?
The InChIKey is SOGOIEQJXCAMJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClF3NO2/c17-13(14(22)10-5-2-1-3-6-10)15(23)21-12-8-4-7-11(9-12)16(18,19)20/h1-9,13H,(H,21,23).
What are the key properties of 2-chloro-3-oxo-3-phenyl-N-[3-(trifluoromethyl)phenyl]propanamide?
2-chloro-3-oxo-3-phenyl-N-[3-(trifluoromethyl)phenyl]propanamide has a molecular weight of 341.72 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-oxo-3-phenyl-N-[3-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 4162926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).