2-chloro-N-pentan-3-yl-2-phenyl-N-(2,2,2-trifluoroethyl)acetamide

C15H19ClF3NO — CID 60948150

IUPAC2-chloro-N-pentan-3-yl-2-phenyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCC(CC)N(CC(F)(F)F)C(=O)C(Cl)c1ccccc1
InChIInChI=1S/C15H19ClF3NO/c1-3-12(4-2)20(10-15(17,18)19)14(21)13(16)11-8-6-5-7-9-11/h5-9,12-13H,3-4,10H2,1-2H3
InChIKeyYOIQZYQMWPQCAW-UHFFFAOYSA-N
MW321.77 g/mol
LogP4.55
Rot. Bonds6

About 2-chloro-N-pentan-3-yl-2-phenyl-N-(2,2,2-trifluoroethyl)acetamide

2-chloro-N-pentan-3-yl-2-phenyl-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 60948150) has the molecular formula C15H19ClF3NO and a molecular weight of 321.77 g/mol. Its IUPAC name is 2-chloro-N-pentan-3-yl-2-phenyl-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-pentan-3-yl-2-phenyl-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID60948150
Molecular FormulaC15H19ClF3NO
Molecular Weight321.77 g/mol
Exact Mass321.11
IUPAC Name2-chloro-N-pentan-3-yl-2-phenyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCC(CC)N(CC(F)(F)F)C(=O)C(Cl)c1ccccc1
InChIInChI=1S/C15H19ClF3NO/c1-3-12(4-2)20(10-15(17,18)19)14(21)13(16)11-8-6-5-7-9-11/h5-9,12-13H,3-4,10H2,1-2H3
InChIKeyYOIQZYQMWPQCAW-UHFFFAOYSA-N
XLogP4.55
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.77
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-pentan-3-yl-2-phenyl-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-chloro-N-pentan-3-yl-2-phenyl-N-(2,2,2-trifluoroethyl)acetamide (CID 60948150) is 2-chloro-N-pentan-3-yl-2-phenyl-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-chloro-N-pentan-3-yl-2-phenyl-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-chloro-N-pentan-3-yl-2-phenyl-N-(2,2,2-trifluoroethyl)acetamide is CCC(CC)N(CC(F)(F)F)C(=O)C(Cl)c1ccccc1.
What is the InChIKey of 2-chloro-N-pentan-3-yl-2-phenyl-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is YOIQZYQMWPQCAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClF3NO/c1-3-12(4-2)20(10-15(17,18)19)14(21)13(16)11-8-6-5-7-9-11/h5-9,12-13H,3-4,10H2,1-2H3.
What are the key properties of 2-chloro-N-pentan-3-yl-2-phenyl-N-(2,2,2-trifluoroethyl)acetamide?
2-chloro-N-pentan-3-yl-2-phenyl-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 321.77 g/mol, XLogP of 4.55, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-pentan-3-yl-2-phenyl-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 60948150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).