2-(4-chlorophenyl)-N-propyl-N-(2,2,2-trifluoroethyl)acetamide

C13H15ClF3NO — CID 58376093

IUPAC2-(4-chlorophenyl)-N-propyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCCN(CC(F)(F)F)C(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C13H15ClF3NO/c1-2-7-18(9-13(15,16)17)12(19)8-10-3-5-11(14)6-4-10/h3-6H,2,7-9H2,1H3
InChIKeyMVNWDBQZPMYEIM-UHFFFAOYSA-N
MW293.72 g/mol
LogP3.68
Rot. Bonds5

About 2-(4-chlorophenyl)-N-propyl-N-(2,2,2-trifluoroethyl)acetamide

2-(4-chlorophenyl)-N-propyl-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 58376093) has the molecular formula C13H15ClF3NO and a molecular weight of 293.72 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-propyl-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-propyl-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID58376093
Molecular FormulaC13H15ClF3NO
Molecular Weight293.72 g/mol
Exact Mass293.08
IUPAC Name2-(4-chlorophenyl)-N-propyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCCN(CC(F)(F)F)C(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C13H15ClF3NO/c1-2-7-18(9-13(15,16)17)12(19)8-10-3-5-11(14)6-4-10/h3-6H,2,7-9H2,1H3
InChIKeyMVNWDBQZPMYEIM-UHFFFAOYSA-N
XLogP3.68
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.72
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-propyl-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-propyl-N-(2,2,2-trifluoroethyl)acetamide (CID 58376093) is 2-(4-chlorophenyl)-N-propyl-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-propyl-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-propyl-N-(2,2,2-trifluoroethyl)acetamide is CCCN(CC(F)(F)F)C(=O)Cc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-propyl-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is MVNWDBQZPMYEIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClF3NO/c1-2-7-18(9-13(15,16)17)12(19)8-10-3-5-11(14)6-4-10/h3-6H,2,7-9H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-N-propyl-N-(2,2,2-trifluoroethyl)acetamide?
2-(4-chlorophenyl)-N-propyl-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 293.72 g/mol, XLogP of 3.68, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-propyl-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 58376093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).