N-[4-chloro-3-(trifluoromethyl)phenyl]-3-oxo-3-phenylpropanamide

C16H11ClF3NO2 — CID 727661

IUPACN-[4-chloro-3-(trifluoromethyl)phenyl]-3-oxo-3-phenylpropanamide
SMILESO=C(CC(=O)c1ccccc1)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C16H11ClF3NO2/c17-13-7-6-11(8-12(13)16(18,19)20)21-15(23)9-14(22)10-4-2-1-3-5-10/h1-8H,9H2,(H,21,23)
InChIKeyGLSAXNHRDBFGFY-UHFFFAOYSA-N
MW341.72 g/mol
LogP4.57
Rot. Bonds4

About N-[4-chloro-3-(trifluoromethyl)phenyl]-3-oxo-3-phenylpropanamide

N-[4-chloro-3-(trifluoromethyl)phenyl]-3-oxo-3-phenylpropanamide (PubChem CID 727661) has the molecular formula C16H11ClF3NO2 and a molecular weight of 341.72 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]-3-oxo-3-phenylpropanamide.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethyl)phenyl]-3-oxo-3-phenylpropanamide
PubChem CID727661
Molecular FormulaC16H11ClF3NO2
Molecular Weight341.72 g/mol
Exact Mass341.04
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]-3-oxo-3-phenylpropanamide
SMILESO=C(CC(=O)c1ccccc1)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C16H11ClF3NO2/c17-13-7-6-11(8-12(13)16(18,19)20)21-15(23)9-14(22)10-4-2-1-3-5-10/h1-8H,9H2,(H,21,23)
InChIKeyGLSAXNHRDBFGFY-UHFFFAOYSA-N
XLogP4.57
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 ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[4-chloro-3-(trifluoromethyl)phenyl]-3-oxo-3-phenylpropanamide with MolForge

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

Launch Full Analysis

Related Compounds

N-benzyl-N'-[4-chloro-3-(trifluoromethyl)phenyl]propanediamide
CID 108945335
3-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]-3-sulfanylidenepropanamide
CID 43132915
2-[(Z)-[amino(phenyl)methylidene]amino]oxy-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 18229188
2-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide;ethane
CID 142867328
N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-(3,5-dimethylphenyl)propanediamide
CID 108953737
N-[4-chloro-3-(trifluoromethyl)phenyl]-3,3-dimethylbutanamide
CID 803107
3-(benzylamino)-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide
CID 109019052
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(1-phenylethylamino)acetamide
CID 84867134
2-(2-chlorophenoxy)-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 19171328
[4-chloro-3-(trifluoromethyl)anilino] benzoate
CID 174783175
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(1-phenylethylamino)propanamide
CID 109020364
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-ethoxyacetamide
CID 60638343

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-3-oxo-3-phenylpropanamide?
The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-3-oxo-3-phenylpropanamide (CID 727661) is N-[4-chloro-3-(trifluoromethyl)phenyl]-3-oxo-3-phenylpropanamide.
What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]-3-oxo-3-phenylpropanamide?
The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]-3-oxo-3-phenylpropanamide is O=C(CC(=O)c1ccccc1)Nc1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of N-[4-chloro-3-(trifluoromethyl)phenyl]-3-oxo-3-phenylpropanamide?
The InChIKey is GLSAXNHRDBFGFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClF3NO2/c17-13-7-6-11(8-12(13)16(18,19)20)21-15(23)9-14(22)10-4-2-1-3-5-10/h1-8H,9H2,(H,21,23).
What are the key properties of N-[4-chloro-3-(trifluoromethyl)phenyl]-3-oxo-3-phenylpropanamide?
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-oxo-3-phenylpropanamide has a molecular weight of 341.72 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(trifluoromethyl)phenyl]-3-oxo-3-phenylpropanamide is sourced from PubChem (CID 727661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).