2-[4-fluoro-2-(2,2,2-trifluoroethoxy)anilino]-N-(3-phenylpropyl)acetamide

C19H20F4N2O2 — CID 86949426

IUPAC2-[4-fluoro-2-(2,2,2-trifluoroethoxy)anilino]-N-(3-phenylpropyl)acetamide
SMILESO=C(CNc1ccc(F)cc1OCC(F)(F)F)NCCCc1ccccc1
InChIInChI=1S/C19H20F4N2O2/c20-15-8-9-16(17(11-15)27-13-19(21,22)23)25-12-18(26)24-10-4-7-14-5-2-1-3-6-14/h1-3,5-6,8-9,11,25H,4,7,10,12-13H2,(H,24,26)
InChIKeyZBVVAABTSWANKR-UHFFFAOYSA-N
MW384.37 g/mol
LogP3.93
Rot. Bonds9

About 2-[4-fluoro-2-(2,2,2-trifluoroethoxy)anilino]-N-(3-phenylpropyl)acetamide

2-[4-fluoro-2-(2,2,2-trifluoroethoxy)anilino]-N-(3-phenylpropyl)acetamide (PubChem CID 86949426) has the molecular formula C19H20F4N2O2 and a molecular weight of 384.37 g/mol. Its IUPAC name is 2-[4-fluoro-2-(2,2,2-trifluoroethoxy)anilino]-N-(3-phenylpropyl)acetamide.

Molecular Properties

Compound Name2-[4-fluoro-2-(2,2,2-trifluoroethoxy)anilino]-N-(3-phenylpropyl)acetamide
PubChem CID86949426
Molecular FormulaC19H20F4N2O2
Molecular Weight384.37 g/mol
Exact Mass384.15
IUPAC Name2-[4-fluoro-2-(2,2,2-trifluoroethoxy)anilino]-N-(3-phenylpropyl)acetamide
SMILESO=C(CNc1ccc(F)cc1OCC(F)(F)F)NCCCc1ccccc1
InChIInChI=1S/C19H20F4N2O2/c20-15-8-9-16(17(11-15)27-13-19(21,22)23)25-12-18(26)24-10-4-7-14-5-2-1-3-6-14/h1-3,5-6,8-9,11,25H,4,7,10,12-13H2,(H,24,26)
InChIKeyZBVVAABTSWANKR-UHFFFAOYSA-N
XLogP3.93
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.37
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[4-fluoro-2-(2,2,2-trifluoroethoxy)anilino]-N-(3-phenylpropyl)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-[2-(difluoromethoxy)anilino]-N-(3-phenylpropyl)acetamide
CID 31669319
N-[2-(2-methoxyphenyl)ethyl]-2-[2-(2,2,2-trifluoroethoxy)anilino]acetamide
CID 86920518
N-[2-(4-fluorophenyl)ethyl]-2-[2-(trifluoromethyl)anilino]acetamide
CID 109000567
N-(5-fluoro-2-methylphenyl)-2-[5-fluoro-2-(2,2,2-trifluoroethoxy)anilino]acetamide
CID 24656358
2-[2-fluoro-5-(trifluoromethyl)anilino]-N-(2-phenylethyl)acetamide
CID 86886800
3-[[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]carbamoylamino]propanoic acid
CID 122084699
[4-[[4-fluoro-2-(2,2,2-trifluoroethoxy)anilino]methyl]phenyl]methanol
CID 110006660
N-[(4-methylphenyl)methyl]-2-[2-(2,2,2-trifluoroethoxy)anilino]acetamide
CID 55506183
2-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-(3-phenylpropyl)acetamide
CID 112994823
N-(4-fluorophenyl)-2-[5-fluoro-2-(2,2,2-trifluoroethoxy)anilino]acetamide
CID 24656321
2-(2-acetamidophenoxy)-N-(3-phenylpropyl)acetamide
CID 7867359
N-(2,6-dimethylphenyl)-2-[5-fluoro-2-(2,2,2-trifluoroethoxy)anilino]acetamide
CID 18288908

Frequently Asked Questions

What is the IUPAC name of 2-[4-fluoro-2-(2,2,2-trifluoroethoxy)anilino]-N-(3-phenylpropyl)acetamide?
The IUPAC name of 2-[4-fluoro-2-(2,2,2-trifluoroethoxy)anilino]-N-(3-phenylpropyl)acetamide (CID 86949426) is 2-[4-fluoro-2-(2,2,2-trifluoroethoxy)anilino]-N-(3-phenylpropyl)acetamide.
What is the SMILES notation for 2-[4-fluoro-2-(2,2,2-trifluoroethoxy)anilino]-N-(3-phenylpropyl)acetamide?
The canonical SMILES for 2-[4-fluoro-2-(2,2,2-trifluoroethoxy)anilino]-N-(3-phenylpropyl)acetamide is O=C(CNc1ccc(F)cc1OCC(F)(F)F)NCCCc1ccccc1.
What is the InChIKey of 2-[4-fluoro-2-(2,2,2-trifluoroethoxy)anilino]-N-(3-phenylpropyl)acetamide?
The InChIKey is ZBVVAABTSWANKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F4N2O2/c20-15-8-9-16(17(11-15)27-13-19(21,22)23)25-12-18(26)24-10-4-7-14-5-2-1-3-6-14/h1-3,5-6,8-9,11,25H,4,7,10,12-13H2,(H,24,26).
What are the key properties of 2-[4-fluoro-2-(2,2,2-trifluoroethoxy)anilino]-N-(3-phenylpropyl)acetamide?
2-[4-fluoro-2-(2,2,2-trifluoroethoxy)anilino]-N-(3-phenylpropyl)acetamide has a molecular weight of 384.37 g/mol, XLogP of 3.93, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-fluoro-2-(2,2,2-trifluoroethoxy)anilino]-N-(3-phenylpropyl)acetamide is sourced from PubChem (CID 86949426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).