2-[2-(2-fluorophenyl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide

C12H14F4N2O — CID 60646650

IUPAC2-[2-(2-fluorophenyl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CNCCc1ccccc1F)NCC(F)(F)F
InChIInChI=1S/C12H14F4N2O/c13-10-4-2-1-3-9(10)5-6-17-7-11(19)18-8-12(14,15)16/h1-4,17H,5-8H2,(H,18,19)
InChIKeyAOLVLRIXVYYLSS-UHFFFAOYSA-N
MW278.25 g/mol
LogP1.64
Rot. Bonds6

About 2-[2-(2-fluorophenyl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide

2-[2-(2-fluorophenyl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 60646650) has the molecular formula C12H14F4N2O and a molecular weight of 278.25 g/mol. Its IUPAC name is 2-[2-(2-fluorophenyl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[2-(2-fluorophenyl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID60646650
Molecular FormulaC12H14F4N2O
Molecular Weight278.25 g/mol
Exact Mass278.10
IUPAC Name2-[2-(2-fluorophenyl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CNCCc1ccccc1F)NCC(F)(F)F
InChIInChI=1S/C12H14F4N2O/c13-10-4-2-1-3-9(10)5-6-17-7-11(19)18-8-12(14,15)16/h1-4,17H,5-8H2,(H,18,19)
InChIKeyAOLVLRIXVYYLSS-UHFFFAOYSA-N
XLogP1.64
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.25
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-chlorophenyl)methyl]-2-[2-(2-fluorophenyl)ethylamino]acetamide
CID 108998209
2-[2-(2-fluorophenyl)ethylamino]-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 109000124
1-[2-(2-fluorophenyl)ethylamino]propan-2-one
CID 115235072
2-[2-(2,4-dichlorophenyl)ethylamino]-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 109000291
N-[2-(2,4-dichlorophenyl)ethyl]-2-[2-(2-fluorophenyl)ethylamino]acetamide
CID 109000163
2-[2-(2-fluorophenyl)ethylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 109000255
N-(2,6-dimethylphenyl)-2-[2-(2-fluorophenyl)ethylamino]acetamide
CID 109000172
N-(2,2,2-trifluoroethyl)-2-[[2-(trifluoromethyl)phenyl]methylamino]acetamide
CID 60957323
N-[2-(2-fluorophenyl)ethyl]-2-[2-(trifluoromethyl)anilino]acetamide
CID 109000338
N-(2,6-dichlorophenyl)-2-[2-(2-fluorophenyl)ethylamino]acetamide
CID 109000245
2-(2-fluorophenyl)-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 78792118
N-(4-acetylphenyl)-2-[2-(2-fluorophenyl)ethylamino]acetamide
CID 109000209

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-fluorophenyl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[2-(2-fluorophenyl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide (CID 60646650) is 2-[2-(2-fluorophenyl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[2-(2-fluorophenyl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[2-(2-fluorophenyl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide is O=C(CNCCc1ccccc1F)NCC(F)(F)F.
What is the InChIKey of 2-[2-(2-fluorophenyl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is AOLVLRIXVYYLSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F4N2O/c13-10-4-2-1-3-9(10)5-6-17-7-11(19)18-8-12(14,15)16/h1-4,17H,5-8H2,(H,18,19).
What are the key properties of 2-[2-(2-fluorophenyl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide?
2-[2-(2-fluorophenyl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 278.25 g/mol, XLogP of 1.64, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-fluorophenyl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 60646650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).