2-(4-acetamidophenyl)-N-(2,2,2-trifluoroethyl)acetamide

C12H13F3N2O2 — CID 9263287

IUPAC2-(4-acetamidophenyl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(=O)Nc1ccc(CC(=O)NCC(F)(F)F)cc1
InChIInChI=1S/C12H13F3N2O2/c1-8(18)17-10-4-2-9(3-5-10)6-11(19)16-7-12(13,14)15/h2-5H,6-7H2,1H3,(H,16,19)(H,17,18)
InChIKeyUNTHAVDLTCBZNK-UHFFFAOYSA-N
MW274.24 g/mol
LogP1.87
Rot. Bonds4

About 2-(4-acetamidophenyl)-N-(2,2,2-trifluoroethyl)acetamide

2-(4-acetamidophenyl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 9263287) has the molecular formula C12H13F3N2O2 and a molecular weight of 274.24 g/mol. Its IUPAC name is 2-(4-acetamidophenyl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(4-acetamidophenyl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID9263287
Molecular FormulaC12H13F3N2O2
Molecular Weight274.24 g/mol
Exact Mass274.09
IUPAC Name2-(4-acetamidophenyl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(=O)Nc1ccc(CC(=O)NCC(F)(F)F)cc1
InChIInChI=1S/C12H13F3N2O2/c1-8(18)17-10-4-2-9(3-5-10)6-11(19)16-7-12(13,14)15/h2-5H,6-7H2,1H3,(H,16,19)(H,17,18)
InChIKeyUNTHAVDLTCBZNK-UHFFFAOYSA-N
XLogP1.87
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.24
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(4-acetamidophenyl)-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-[[3-oxo-3-(2,2,2-trifluoroethylamino)propanoyl]amino]phenyl]acetic acid
CID 120537771
2-(4-acetamidophenyl)-N-(2,3-dihydroxy-2-methylpropyl)acetamide
CID 66169576
2-[4-(bromomethyl)phenyl]-N-(2,2,2-trifluoroethyl)acetamide
CID 139330806
N-(4-acetamidophenyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 51271866
2-(4-acetamidophenyl)-N-(5-hydroxy-2,2-dimethylpentyl)acetamide
CID 75441471
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 4-acetamidobenzoate
CID 7949725
2-(4-acetamidophenyl)-N-(2-hydroxyethyl)acetamide
CID 11287807
5-methyl-N-[4-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]phenyl]-1,2-oxazole-4-carboxamide
CID 71806329
2-(4-acetamidophenyl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 134010386
2-(4-acetamidophenyl)-N-(2-hydroxy-3,3-dimethylbutyl)acetamide
CID 71848986
2-(4-acetamidophenyl)-N-[3,5-bis(trifluoromethyl)phenyl]acetamide
CID 9207196
2-(4-acetamidophenyl)-N-[(2S)-2-hydroxy-3,3-dimethylbutyl]acetamide
CID 96542842

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidophenyl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(4-acetamidophenyl)-N-(2,2,2-trifluoroethyl)acetamide (CID 9263287) is 2-(4-acetamidophenyl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(4-acetamidophenyl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(4-acetamidophenyl)-N-(2,2,2-trifluoroethyl)acetamide is CC(=O)Nc1ccc(CC(=O)NCC(F)(F)F)cc1.
What is the InChIKey of 2-(4-acetamidophenyl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is UNTHAVDLTCBZNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O2/c1-8(18)17-10-4-2-9(3-5-10)6-11(19)16-7-12(13,14)15/h2-5H,6-7H2,1H3,(H,16,19)(H,17,18).
What are the key properties of 2-(4-acetamidophenyl)-N-(2,2,2-trifluoroethyl)acetamide?
2-(4-acetamidophenyl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 274.24 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidophenyl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 9263287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).