2-[2-(2-fluorophenyl)ethylamino]-N-(2,3,4-trifluorophenyl)acetamide

C16H14F4N2O — CID 109000255

IUPAC2-[2-(2-fluorophenyl)ethylamino]-N-(2,3,4-trifluorophenyl)acetamide
SMILESO=C(CNCCc1ccccc1F)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C16H14F4N2O/c17-11-4-2-1-3-10(11)7-8-21-9-14(23)22-13-6-5-12(18)15(19)16(13)20/h1-6,21H,7-9H2,(H,22,23)
InChIKeyJLWRIVBJPIZGRT-UHFFFAOYSA-N
MW326.29 g/mol
LogP3.01
Rot. Bonds6

About 2-[2-(2-fluorophenyl)ethylamino]-N-(2,3,4-trifluorophenyl)acetamide

2-[2-(2-fluorophenyl)ethylamino]-N-(2,3,4-trifluorophenyl)acetamide (PubChem CID 109000255) has the molecular formula C16H14F4N2O and a molecular weight of 326.29 g/mol. Its IUPAC name is 2-[2-(2-fluorophenyl)ethylamino]-N-(2,3,4-trifluorophenyl)acetamide.

Molecular Properties

Compound Name2-[2-(2-fluorophenyl)ethylamino]-N-(2,3,4-trifluorophenyl)acetamide
PubChem CID109000255
Molecular FormulaC16H14F4N2O
Molecular Weight326.29 g/mol
Exact Mass326.10
IUPAC Name2-[2-(2-fluorophenyl)ethylamino]-N-(2,3,4-trifluorophenyl)acetamide
SMILESO=C(CNCCc1ccccc1F)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C16H14F4N2O/c17-11-4-2-1-3-10(11)7-8-21-9-14(23)22-13-6-5-12(18)15(19)16(13)20/h1-6,21H,7-9H2,(H,22,23)
InChIKeyJLWRIVBJPIZGRT-UHFFFAOYSA-N
XLogP3.01
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.29
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-[[N-[2-(2-fluorophenyl)ethyl]-N'-methylcarbamimidoyl]amino]-N-(2,3,4-trifluorophenyl)acetamide;hydroiodide
CID 111361100
N-[2-(2-fluorophenyl)ethyl]-N'-(2,3,4-trifluorophenyl)oxamide
CID 108985301
N-(2,6-dimethylphenyl)-2-[2-(2-fluorophenyl)ethylamino]acetamide
CID 109000172
N-(2,6-dichlorophenyl)-2-[2-(2-fluorophenyl)ethylamino]acetamide
CID 109000245
N-(3-chloro-4-fluorophenyl)-2-[2-(2-fluorophenyl)ethylamino]acetamide
CID 109000189
N-(4-acetylphenyl)-2-[2-(2-fluorophenyl)ethylamino]acetamide
CID 109000209
1-[2-(2-fluorophenyl)ethylamino]propan-2-one
CID 115235072
2-[[2-[(2-fluorophenyl)methyl-methylamino]acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 9034646
2-[2-(2-fluorophenyl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 60646650
N-[(4-chlorophenyl)methyl]-2-[2-(2-fluorophenyl)ethylamino]acetamide
CID 108998209
N-(5-chloro-2-methylphenyl)-3-[2-(2-fluorophenyl)ethylamino]propanamide
CID 109024857
N-(2-ethylphenyl)-3-[2-(2-fluorophenyl)ethylamino]propanamide
CID 109024840

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-fluorophenyl)ethylamino]-N-(2,3,4-trifluorophenyl)acetamide?
The IUPAC name of 2-[2-(2-fluorophenyl)ethylamino]-N-(2,3,4-trifluorophenyl)acetamide (CID 109000255) is 2-[2-(2-fluorophenyl)ethylamino]-N-(2,3,4-trifluorophenyl)acetamide.
What is the SMILES notation for 2-[2-(2-fluorophenyl)ethylamino]-N-(2,3,4-trifluorophenyl)acetamide?
The canonical SMILES for 2-[2-(2-fluorophenyl)ethylamino]-N-(2,3,4-trifluorophenyl)acetamide is O=C(CNCCc1ccccc1F)Nc1ccc(F)c(F)c1F.
What is the InChIKey of 2-[2-(2-fluorophenyl)ethylamino]-N-(2,3,4-trifluorophenyl)acetamide?
The InChIKey is JLWRIVBJPIZGRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F4N2O/c17-11-4-2-1-3-10(11)7-8-21-9-14(23)22-13-6-5-12(18)15(19)16(13)20/h1-6,21H,7-9H2,(H,22,23).
What are the key properties of 2-[2-(2-fluorophenyl)ethylamino]-N-(2,3,4-trifluorophenyl)acetamide?
2-[2-(2-fluorophenyl)ethylamino]-N-(2,3,4-trifluorophenyl)acetamide has a molecular weight of 326.29 g/mol, XLogP of 3.01, 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-(2,3,4-trifluorophenyl)acetamide is sourced from PubChem (CID 109000255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).