N-butyl-2-(4-methylphenyl)-N-(2,2,2-trifluoroethyl)acetamide

C15H20F3NO — CID 78866721

IUPACN-butyl-2-(4-methylphenyl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCCCN(CC(F)(F)F)C(=O)Cc1ccc(C)cc1
InChIInChI=1S/C15H20F3NO/c1-3-4-9-19(11-15(16,17)18)14(20)10-13-7-5-12(2)6-8-13/h5-8H,3-4,9-11H2,1-2H3
InChIKeyIRINOWJOOPXMBM-UHFFFAOYSA-N
MW287.32 g/mol
LogP3.73
Rot. Bonds6

About N-butyl-2-(4-methylphenyl)-N-(2,2,2-trifluoroethyl)acetamide

N-butyl-2-(4-methylphenyl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 78866721) has the molecular formula C15H20F3NO and a molecular weight of 287.32 g/mol. Its IUPAC name is N-butyl-2-(4-methylphenyl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound NameN-butyl-2-(4-methylphenyl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID78866721
Molecular FormulaC15H20F3NO
Molecular Weight287.32 g/mol
Exact Mass287.15
IUPAC NameN-butyl-2-(4-methylphenyl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCCCN(CC(F)(F)F)C(=O)Cc1ccc(C)cc1
InChIInChI=1S/C15H20F3NO/c1-3-4-9-19(11-15(16,17)18)14(20)10-13-7-5-12(2)6-8-13/h5-8H,3-4,9-11H2,1-2H3
InChIKeyIRINOWJOOPXMBM-UHFFFAOYSA-N
XLogP3.73
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-butyl-2-(4-methylphenyl)-N-(2,2,2-trifluoroethyl)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

2-[4-(aminomethyl)phenyl]-N-propyl-N-(2,2,2-trifluoroethyl)acetamide
CID 63589444
2-[[2-(4-methylphenyl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79257969
2-(4-aminophenyl)-N,N-dibutylacetamide
CID 28982323
N-ethyl-N-(2,2,2-trifluoroethyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 78858653
N-butyl-2-chloro-N-(2,2,2-trifluoroethyl)acetamide
CID 60809342
2-(4-aminophenyl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 54904791
N-butyl-3,3-dimethyl-N-(2,2,2-trifluoroethyl)butanamide
CID 78866720
N-(2-hydroxyethyl)-2-[(4-methylphenyl)methylsulfanyl]-N-(2,2,2-trifluoroethyl)acetamide
CID 103915456
N-butyl-5-ethyl-N-(2,2,2-trifluoroethyl)furan-2-carboxamide
CID 78883229
ethyl 4-[butyl(2,2,2-trifluoroethyl)amino]-4-oxobutanoate
CID 60778332
3-[butyl-[2-(4-fluorophenyl)acetyl]amino]propanoic acid
CID 82325163
N-butyl-4-chloro-N-(2,2,2-trifluoroethyl)butanamide
CID 63307840

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(4-methylphenyl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of N-butyl-2-(4-methylphenyl)-N-(2,2,2-trifluoroethyl)acetamide (CID 78866721) is N-butyl-2-(4-methylphenyl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for N-butyl-2-(4-methylphenyl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for N-butyl-2-(4-methylphenyl)-N-(2,2,2-trifluoroethyl)acetamide is CCCCN(CC(F)(F)F)C(=O)Cc1ccc(C)cc1.
What is the InChIKey of N-butyl-2-(4-methylphenyl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is IRINOWJOOPXMBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3NO/c1-3-4-9-19(11-15(16,17)18)14(20)10-13-7-5-12(2)6-8-13/h5-8H,3-4,9-11H2,1-2H3.
What are the key properties of N-butyl-2-(4-methylphenyl)-N-(2,2,2-trifluoroethyl)acetamide?
N-butyl-2-(4-methylphenyl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 287.32 g/mol, XLogP of 3.73, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(4-methylphenyl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 78866721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).