2-[2-(4-fluorophenyl)ethylamino]-N-(4-propan-2-ylphenyl)acetamide

C19H23FN2O — CID 109000448

IUPAC2-[2-(4-fluorophenyl)ethylamino]-N-(4-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccc(NC(=O)CNCCc2ccc(F)cc2)cc1
InChIInChI=1S/C19H23FN2O/c1-14(2)16-5-9-18(10-6-16)22-19(23)13-21-12-11-15-3-7-17(20)8-4-15/h3-10,14,21H,11-13H2,1-2H3,(H,22,23)
InChIKeyNZVZVCUGADEHSD-UHFFFAOYSA-N
MW314.40 g/mol
LogP3.72
Rot. Bonds7

About 2-[2-(4-fluorophenyl)ethylamino]-N-(4-propan-2-ylphenyl)acetamide

2-[2-(4-fluorophenyl)ethylamino]-N-(4-propan-2-ylphenyl)acetamide (PubChem CID 109000448) has the molecular formula C19H23FN2O and a molecular weight of 314.40 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)ethylamino]-N-(4-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)ethylamino]-N-(4-propan-2-ylphenyl)acetamide
PubChem CID109000448
Molecular FormulaC19H23FN2O
Molecular Weight314.40 g/mol
Exact Mass314.18
IUPAC Name2-[2-(4-fluorophenyl)ethylamino]-N-(4-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccc(NC(=O)CNCCc2ccc(F)cc2)cc1
InChIInChI=1S/C19H23FN2O/c1-14(2)16-5-9-18(10-6-16)22-19(23)13-21-12-11-15-3-7-17(20)8-4-15/h3-10,14,21H,11-13H2,1-2H3,(H,22,23)
InChIKeyNZVZVCUGADEHSD-UHFFFAOYSA-N
XLogP3.72
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.40
LogP ≤ 53.72
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

2-[2-(4-chlorophenyl)ethylamino]-N-(4-propan-2-ylphenyl)acetamide
CID 109002847
2-[(4-fluorophenyl)methylamino]-N-(4-propan-2-ylphenyl)acetamide
CID 108997765
2-[2-(4-fluorophenyl)ethylamino]-1-(4-propan-2-ylphenyl)ethanone
CID 82101375
2-[(4-fluorophenyl)methylcarbamoylamino]-N-(4-propan-2-ylphenyl)acetamide
CID 24605074
1-[2-(4-propan-2-ylphenyl)ethylamino]propan-2-one
CID 115234952
N-(4-fluorophenyl)-2-(propylamino)acetamide
CID 28586343
2-[2-(dimethylamino)ethylamino]-N-(4-propan-2-ylphenyl)acetamide
CID 108994500
2-[2-(4-chlorophenyl)ethylamino]-N-(4-ethylphenyl)acetamide
CID 109002843
2-[2-(4-chlorophenyl)ethylamino]-N-(4-methylphenyl)acetamide
CID 60647462
2-[(4-fluorophenyl)methyl-methylamino]-N-(4-propan-2-ylphenyl)acetamide
CID 9251924
2-[2-(4-propan-2-ylphenyl)ethylamino]acetamide
CID 115260058
4-[[2-oxo-2-(4-propan-2-ylanilino)ethyl]amino]butanoic acid
CID 43473710

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)ethylamino]-N-(4-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-[2-(4-fluorophenyl)ethylamino]-N-(4-propan-2-ylphenyl)acetamide (CID 109000448) is 2-[2-(4-fluorophenyl)ethylamino]-N-(4-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-[2-(4-fluorophenyl)ethylamino]-N-(4-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-[2-(4-fluorophenyl)ethylamino]-N-(4-propan-2-ylphenyl)acetamide is CC(C)c1ccc(NC(=O)CNCCc2ccc(F)cc2)cc1.
What is the InChIKey of 2-[2-(4-fluorophenyl)ethylamino]-N-(4-propan-2-ylphenyl)acetamide?
The InChIKey is NZVZVCUGADEHSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O/c1-14(2)16-5-9-18(10-6-16)22-19(23)13-21-12-11-15-3-7-17(20)8-4-15/h3-10,14,21H,11-13H2,1-2H3,(H,22,23).
What are the key properties of 2-[2-(4-fluorophenyl)ethylamino]-N-(4-propan-2-ylphenyl)acetamide?
2-[2-(4-fluorophenyl)ethylamino]-N-(4-propan-2-ylphenyl)acetamide has a molecular weight of 314.40 g/mol, XLogP of 3.72, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)ethylamino]-N-(4-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 109000448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).