N-[2-(4-chlorophenyl)-2-oxoethyl]-2-(trifluoromethyl)benzamide

C16H11ClF3NO2 — CID 2743748

IUPACN-[2-(4-chlorophenyl)-2-oxoethyl]-2-(trifluoromethyl)benzamide
SMILESO=C(CNC(=O)c1ccccc1C(F)(F)F)c1ccc(Cl)cc1
InChIInChI=1S/C16H11ClF3NO2/c17-11-7-5-10(6-8-11)14(22)9-21-15(23)12-3-1-2-4-13(12)16(18,19)20/h1-8H,9H2,(H,21,23)
InChIKeySWBNJECGUZTQTK-UHFFFAOYSA-N
MW341.72 g/mol
LogP3.97
Rot. Bonds4

About N-[2-(4-chlorophenyl)-2-oxoethyl]-2-(trifluoromethyl)benzamide

N-[2-(4-chlorophenyl)-2-oxoethyl]-2-(trifluoromethyl)benzamide (PubChem CID 2743748) has the molecular formula C16H11ClF3NO2 and a molecular weight of 341.72 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-2-oxoethyl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-2-oxoethyl]-2-(trifluoromethyl)benzamide
PubChem CID2743748
Molecular FormulaC16H11ClF3NO2
Molecular Weight341.72 g/mol
Exact Mass341.04
IUPAC NameN-[2-(4-chlorophenyl)-2-oxoethyl]-2-(trifluoromethyl)benzamide
SMILESO=C(CNC(=O)c1ccccc1C(F)(F)F)c1ccc(Cl)cc1
InChIInChI=1S/C16H11ClF3NO2/c17-11-7-5-10(6-8-11)14(22)9-21-15(23)12-3-1-2-4-13(12)16(18,19)20/h1-8H,9H2,(H,21,23)
InChIKeySWBNJECGUZTQTK-UHFFFAOYSA-N
XLogP3.97
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 ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-2-oxoethyl]-2-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-(4-chlorophenyl)-2-oxoethyl]-2-(trifluoromethyl)benzamide (CID 2743748) is N-[2-(4-chlorophenyl)-2-oxoethyl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)-2-oxoethyl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-(4-chlorophenyl)-2-oxoethyl]-2-(trifluoromethyl)benzamide is O=C(CNC(=O)c1ccccc1C(F)(F)F)c1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)-2-oxoethyl]-2-(trifluoromethyl)benzamide?
The InChIKey is SWBNJECGUZTQTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClF3NO2/c17-11-7-5-10(6-8-11)14(22)9-21-15(23)12-3-1-2-4-13(12)16(18,19)20/h1-8H,9H2,(H,21,23).
What are the key properties of N-[2-(4-chlorophenyl)-2-oxoethyl]-2-(trifluoromethyl)benzamide?
N-[2-(4-chlorophenyl)-2-oxoethyl]-2-(trifluoromethyl)benzamide has a molecular weight of 341.72 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)-2-oxoethyl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 2743748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).