N-propyl-N-prop-2-ynyl-2-[4-(trifluoromethyl)phenyl]acetamide

C15H16F3NO — CID 78970529

IUPACN-propyl-N-prop-2-ynyl-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESC#CCN(CCC)C(=O)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H16F3NO/c1-3-9-19(10-4-2)14(20)11-12-5-7-13(8-6-12)15(16,17)18/h1,5-8H,4,9-11H2,2H3
InChIKeyGWYNAPOJPRCJPP-UHFFFAOYSA-N
MW283.29 g/mol
LogP3.12
Rot. Bonds5

About N-propyl-N-prop-2-ynyl-2-[4-(trifluoromethyl)phenyl]acetamide

N-propyl-N-prop-2-ynyl-2-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 78970529) has the molecular formula C15H16F3NO and a molecular weight of 283.29 g/mol. Its IUPAC name is N-propyl-N-prop-2-ynyl-2-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-propyl-N-prop-2-ynyl-2-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID78970529
Molecular FormulaC15H16F3NO
Molecular Weight283.29 g/mol
Exact Mass283.12
IUPAC NameN-propyl-N-prop-2-ynyl-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESC#CCN(CCC)C(=O)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H16F3NO/c1-3-9-19(10-4-2)14(20)11-12-5-7-13(8-6-12)15(16,17)18/h1,5-8H,4,9-11H2,2H3
InChIKeyGWYNAPOJPRCJPP-UHFFFAOYSA-N
XLogP3.12
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-propyl-N-prop-2-ynyl-2-[4-(trifluoromethyl)phenyl]acetamide 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-(2-chloroethyl)-N-ethyl-2-[4-(trifluoromethyl)phenyl]acetamide
CID 63395080
2-fluoro-N-propyl-N-prop-2-ynyl-5-(trifluoromethyl)benzamide
CID 80719183
N-ethyl-N-(2,2,2-trifluoroethyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 78858653
3,3,3-trifluoro-N-propyl-N-prop-2-ynylpropanamide
CID 78971073
N-(3-aminopropyl)-N-ethyl-2-[4-(trifluoromethyl)phenyl]acetamide
CID 62114184
2-[2-oxo-2-[propyl(prop-2-ynyl)amino]ethyl]benzoic acid
CID 113431534
N-(2-amino-2-sulfanylideneethyl)-N-ethyl-2-[4-(trifluoromethyl)phenyl]acetamide
CID 62114873
2-[4-(aminomethyl)phenyl]-N-propyl-N-(2,2,2-trifluoroethyl)acetamide
CID 63589444
N-[2-oxo-2-[propyl(prop-2-ynyl)amino]ethyl]benzamide
CID 78992297
2-(4-cyanophenyl)-N-ethyl-N-propylacetamide
CID 62404728
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-[4-(trifluoromethyl)phenyl]acetamide
CID 79648191
N-(cyclopropylmethyl)-2-(4-fluorophenyl)-N-prop-2-ynylacetamide
CID 113330077

Frequently Asked Questions

What is the IUPAC name of N-propyl-N-prop-2-ynyl-2-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-propyl-N-prop-2-ynyl-2-[4-(trifluoromethyl)phenyl]acetamide (CID 78970529) is N-propyl-N-prop-2-ynyl-2-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-propyl-N-prop-2-ynyl-2-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-propyl-N-prop-2-ynyl-2-[4-(trifluoromethyl)phenyl]acetamide is C#CCN(CCC)C(=O)Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-propyl-N-prop-2-ynyl-2-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is GWYNAPOJPRCJPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3NO/c1-3-9-19(10-4-2)14(20)11-12-5-7-13(8-6-12)15(16,17)18/h1,5-8H,4,9-11H2,2H3.
What are the key properties of N-propyl-N-prop-2-ynyl-2-[4-(trifluoromethyl)phenyl]acetamide?
N-propyl-N-prop-2-ynyl-2-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 283.29 g/mol, XLogP of 3.12, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-N-prop-2-ynyl-2-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 78970529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).