2-chloro-N-ethyl-2-phenyl-N-(2,2,2-trifluoroethyl)acetamide

C12H13ClF3NO — CID 55011139

IUPAC2-chloro-N-ethyl-2-phenyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCN(CC(F)(F)F)C(=O)C(Cl)c1ccccc1
InChIInChI=1S/C12H13ClF3NO/c1-2-17(8-12(14,15)16)11(18)10(13)9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3
InChIKeyBJVHLFWTMNXJSG-UHFFFAOYSA-N
MW279.69 g/mol
LogP3.38
Rot. Bonds4

About 2-chloro-N-ethyl-2-phenyl-N-(2,2,2-trifluoroethyl)acetamide

2-chloro-N-ethyl-2-phenyl-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 55011139) has the molecular formula C12H13ClF3NO and a molecular weight of 279.69 g/mol. Its IUPAC name is 2-chloro-N-ethyl-2-phenyl-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-ethyl-2-phenyl-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID55011139
Molecular FormulaC12H13ClF3NO
Molecular Weight279.69 g/mol
Exact Mass279.06
IUPAC Name2-chloro-N-ethyl-2-phenyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCN(CC(F)(F)F)C(=O)C(Cl)c1ccccc1
InChIInChI=1S/C12H13ClF3NO/c1-2-17(8-12(14,15)16)11(18)10(13)9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3
InChIKeyBJVHLFWTMNXJSG-UHFFFAOYSA-N
XLogP3.38
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.69
LogP ≤ 53.38
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-ethyl-2-phenyl-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-chloro-N-ethyl-2-phenyl-N-(2,2,2-trifluoroethyl)acetamide (CID 55011139) is 2-chloro-N-ethyl-2-phenyl-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-chloro-N-ethyl-2-phenyl-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-chloro-N-ethyl-2-phenyl-N-(2,2,2-trifluoroethyl)acetamide is CCN(CC(F)(F)F)C(=O)C(Cl)c1ccccc1.
What is the InChIKey of 2-chloro-N-ethyl-2-phenyl-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is BJVHLFWTMNXJSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClF3NO/c1-2-17(8-12(14,15)16)11(18)10(13)9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3.
What are the key properties of 2-chloro-N-ethyl-2-phenyl-N-(2,2,2-trifluoroethyl)acetamide?
2-chloro-N-ethyl-2-phenyl-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 279.69 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-ethyl-2-phenyl-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 55011139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).